Finerenone Impurity 4

CAT: 1596-AR-F10044-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-F10044-02Size:25 Units

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CAS Number

2640280-87-9

Synonyms

4- (4-Cyano-2-methoxyphenyl) -5-isopropoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid

Molecular Formula

C22H23N3O4

Molecular Weight

393.44

API Name

Finerenone

Chemical Information

Finerenone Impurity 8

CAS Number	2640280-87-9
PubChem CID	170903392
IUPAC Name	4-(4-cyano-2-methoxyphenyl)-2,8-dimethyl-5-propan-2-yloxy-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid
Molecular Formula	C22H23N3O4
Molecular Weight	393.4
XLogP	3.5
Topological Polar Surface Area	104
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	29
Formal Charge	0
Complexity	697

SMILES

CC1=CN=C(C2=C1NC(=C(C2C3=C(C=C(C=C3)C#N)OC)C(=O)O)C)OC(C)C

InChI

InChI=1S/C22H23N3O4/c1-11(2)29-21-19-18(15-7-6-14(9-23)8-16(15)28-5)17(22(26)27)13(4)25-20(19)12(3)10-24-21/h6-8,10-11,18,25H,1-5H3,(H,26,27)

InChIKey

IUTNHWXRIXRBRB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2640280-87-9

CID: 170903392

Formula: C22H23N3O4

MW: 393.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	393.4
XLogP3	3.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	393.16885622
Monoisotopic Mass	393.16885622
Topological Polar Surface Area	104 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	697
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes