1-[(4-chloro-2-fluorophenyl)methyl]-3-(2-methyl-4-pyridinyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

C25H20ClFN4O — CID 146012490

IUPAC1-[(4-chloro-2-fluorophenyl)methyl]-3-(2-methyl-4-pyridinyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCc1cc(-c2c3c(n(Cc4ccc(Cl)cc4F)c2-c2ccncc2)CCNC3=O)ccn1
InChIInChI=1S/C25H20ClFN4O/c1-15-12-17(6-10-29-15)22-23-21(7-11-30-25(23)32)31(24(22)16-4-8-28-9-5-16)14-18-2-3-19(26)13-20(18)27/h2-6,8-10,12-13H,7,11,14H2,1H3,(H,30,32)
InChIKeyPDDWLCOTLKHERO-UHFFFAOYSA-N
MW446.91 g/mol
LogP5.05
Rot. Bonds4

About 1-[(4-chloro-2-fluorophenyl)methyl]-3-(2-methyl-4-pyridinyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

1-[(4-chloro-2-fluorophenyl)methyl]-3-(2-methyl-4-pyridinyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 146012490) has the molecular formula C25H20ClFN4O and a molecular weight of 446.91 g/mol. Its IUPAC name is 1-[(4-chloro-2-fluorophenyl)methyl]-3-(2-methyl-4-pyridinyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name1-[(4-chloro-2-fluorophenyl)methyl]-3-(2-methyl-4-pyridinyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID146012490
Molecular FormulaC25H20ClFN4O
Molecular Weight446.91 g/mol
Exact Mass446.13
IUPAC Name1-[(4-chloro-2-fluorophenyl)methyl]-3-(2-methyl-4-pyridinyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCc1cc(-c2c3c(n(Cc4ccc(Cl)cc4F)c2-c2ccncc2)CCNC3=O)ccn1
InChIInChI=1S/C25H20ClFN4O/c1-15-12-17(6-10-29-15)22-23-21(7-11-30-25(23)32)31(24(22)16-4-8-28-9-5-16)14-18-2-3-19(26)13-20(18)27/h2-6,8-10,12-13H,7,11,14H2,1H3,(H,30,32)
InChIKeyPDDWLCOTLKHERO-UHFFFAOYSA-N
XLogP5.05
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.91
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(4-chloro-2-fluorophenyl)methyl]-3-(2-methyl-4-pyridinyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one with MolForge

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Related Compounds

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CID 2929
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CID 10365366
N-{7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl}-1-methyl-1H-indole-3-carboxamide
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N-{6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl}-1H-indole-3-carboxamide
CID 11465667
N-{5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl}-1H-indole-3-carboxamide
CID 11669798
Pyrrolopyridine, 10
CID 16719968
Pyrrolopyridine, 11
CID 16719970
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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-3-(2-methyl-4-pyridinyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-3-(2-methyl-4-pyridinyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (CID 146012490) is 1-[(4-chloro-2-fluorophenyl)methyl]-3-(2-methyl-4-pyridinyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 1-[(4-chloro-2-fluorophenyl)methyl]-3-(2-methyl-4-pyridinyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 1-[(4-chloro-2-fluorophenyl)methyl]-3-(2-methyl-4-pyridinyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is Cc1cc(-c2c3c(n(Cc4ccc(Cl)cc4F)c2-c2ccncc2)CCNC3=O)ccn1.
What is the InChIKey of 1-[(4-chloro-2-fluorophenyl)methyl]-3-(2-methyl-4-pyridinyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is PDDWLCOTLKHERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClFN4O/c1-15-12-17(6-10-29-15)22-23-21(7-11-30-25(23)32)31(24(22)16-4-8-28-9-5-16)14-18-2-3-19(26)13-20(18)27/h2-6,8-10,12-13H,7,11,14H2,1H3,(H,30,32).
What are the key properties of 1-[(4-chloro-2-fluorophenyl)methyl]-3-(2-methyl-4-pyridinyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
1-[(4-chloro-2-fluorophenyl)methyl]-3-(2-methyl-4-pyridinyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 446.91 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-fluorophenyl)methyl]-3-(2-methyl-4-pyridinyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 146012490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).