6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(5-fluoro-2-methoxy-4-pyridinyl)-3-propyl-6H-pyrrolo[3,4-d]imidazol-4-one

C27H25ClFN5O3 — CID 86567636

IUPAC6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(5-fluoro-2-methoxy-4-pyridinyl)-3-propyl-6H-pyrrolo[3,4-d]imidazol-4-one
SMILESCCCn1c(-c2cc(OC)ncc2F)nc2c1C(=O)N(c1cc(C)c(=O)n(C)c1)C2c1ccc(Cl)cc1
InChIInChI=1S/C27H25ClFN5O3/c1-5-10-33-24-22(31-25(33)19-12-21(37-4)30-13-20(19)29)23(16-6-8-17(28)9-7-16)34(27(24)36)18-11-15(2)26(35)32(3)14-18/h6-9,11-14,23H,5,10H2,1-4H3
InChIKeySOSVCXWWZFMQQP-UHFFFAOYSA-N
MW521.98 g/mol
LogP4.91
Rot. Bonds6

About 6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(5-fluoro-2-methoxy-4-pyridinyl)-3-propyl-6H-pyrrolo[3,4-d]imidazol-4-one

6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(5-fluoro-2-methoxy-4-pyridinyl)-3-propyl-6H-pyrrolo[3,4-d]imidazol-4-one (PubChem CID 86567636) has the molecular formula C27H25ClFN5O3 and a molecular weight of 521.98 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(5-fluoro-2-methoxy-4-pyridinyl)-3-propyl-6H-pyrrolo[3,4-d]imidazol-4-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(5-fluoro-2-methoxy-4-pyridinyl)-3-propyl-6H-pyrrolo[3,4-d]imidazol-4-one
PubChem CID86567636
Molecular FormulaC27H25ClFN5O3
Molecular Weight521.98 g/mol
Exact Mass521.16
IUPAC Name6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(5-fluoro-2-methoxy-4-pyridinyl)-3-propyl-6H-pyrrolo[3,4-d]imidazol-4-one
SMILESCCCn1c(-c2cc(OC)ncc2F)nc2c1C(=O)N(c1cc(C)c(=O)n(C)c1)C2c1ccc(Cl)cc1
InChIInChI=1S/C27H25ClFN5O3/c1-5-10-33-24-22(31-25(33)19-12-21(37-4)30-13-20(19)29)23(16-6-8-17(28)9-7-16)34(27(24)36)18-11-15(2)26(35)32(3)14-18/h6-9,11-14,23H,5,10H2,1-4H3
InChIKeySOSVCXWWZFMQQP-UHFFFAOYSA-N
XLogP4.91
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.98
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(5-fluoro-2-methoxy-4-pyridinyl)-3-propyl-6H-pyrrolo[3,4-d]imidazol-4-one with MolForge

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Related Compounds

(4R)-4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-(2-methoxy-3-pyridinyl)-3-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 91826329
(4R)-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(methoxymethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 91826360
1-(azetidin-3-yl)-4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 91826339
6-(4-chlorophenyl)-2-[2-(dimethylamino)pyrimidin-5-yl]-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one
CID 122553463
4-(4-chlorophenyl)-2-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 86294479
3-[4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methyl-6-oxo-4H-pyrrolo[3,4-d]pyrazol-1-yl]azetidine-1-carboxylic acid
CID 130234503
5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-4-(4-chlorophenyl)-1,3-dimethyl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 86292000
3-tert-butyl-4-(4-chlorophenyl)-2-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-4H-pyrrolo[3,4-d]imidazol-6-one
CID 86567571
(4R)-4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-2-(1,3-thiazol-2-yl)-4H-pyrrolo[3,4-d]imidazol-6-one
CID 86567503
5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-4-(4-chlorophenyl)-2-(2-methoxy-6-oxo-1H-pyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 137301305
6-(4-chlorophenyl)-3-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-(2-methylpyrazol-3-yl)-6H-pyrrolo[3,4-d]pyrazol-4-one
CID 86343544
4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(6-methoxy-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 86567305

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(5-fluoro-2-methoxy-4-pyridinyl)-3-propyl-6H-pyrrolo[3,4-d]imidazol-4-one?
The IUPAC name of 6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(5-fluoro-2-methoxy-4-pyridinyl)-3-propyl-6H-pyrrolo[3,4-d]imidazol-4-one (CID 86567636) is 6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(5-fluoro-2-methoxy-4-pyridinyl)-3-propyl-6H-pyrrolo[3,4-d]imidazol-4-one.
What is the SMILES notation for 6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(5-fluoro-2-methoxy-4-pyridinyl)-3-propyl-6H-pyrrolo[3,4-d]imidazol-4-one?
The canonical SMILES for 6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(5-fluoro-2-methoxy-4-pyridinyl)-3-propyl-6H-pyrrolo[3,4-d]imidazol-4-one is CCCn1c(-c2cc(OC)ncc2F)nc2c1C(=O)N(c1cc(C)c(=O)n(C)c1)C2c1ccc(Cl)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(5-fluoro-2-methoxy-4-pyridinyl)-3-propyl-6H-pyrrolo[3,4-d]imidazol-4-one?
The InChIKey is SOSVCXWWZFMQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClFN5O3/c1-5-10-33-24-22(31-25(33)19-12-21(37-4)30-13-20(19)29)23(16-6-8-17(28)9-7-16)34(27(24)36)18-11-15(2)26(35)32(3)14-18/h6-9,11-14,23H,5,10H2,1-4H3.
What are the key properties of 6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(5-fluoro-2-methoxy-4-pyridinyl)-3-propyl-6H-pyrrolo[3,4-d]imidazol-4-one?
6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(5-fluoro-2-methoxy-4-pyridinyl)-3-propyl-6H-pyrrolo[3,4-d]imidazol-4-one has a molecular weight of 521.98 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(5-fluoro-2-methoxy-4-pyridinyl)-3-propyl-6H-pyrrolo[3,4-d]imidazol-4-one is sourced from PubChem (CID 86567636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).