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

C24H17ClF2N4O — CID 146012488

IUPAC1-[(4-chloro-2-fluorophenyl)methyl]-3-(3-fluoro-4-pyridinyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2c1c(-c1ccncc1F)c(-c1ccncc1)n2Cc1ccc(Cl)cc1F
InChIInChI=1S/C24H17ClF2N4O/c25-16-2-1-15(18(26)11-16)13-31-20-6-10-30-24(32)22(20)21(17-5-9-29-12-19(17)27)23(31)14-3-7-28-8-4-14/h1-5,7-9,11-12H,6,10,13H2,(H,30,32)
InChIKeyMLIPXGSZAKUHIU-UHFFFAOYSA-N
MW450.88 g/mol
LogP4.88
Rot. Bonds4

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

1-[(4-chloro-2-fluorophenyl)methyl]-3-(3-fluoro-4-pyridinyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 146012488) has the molecular formula C24H17ClF2N4O and a molecular weight of 450.88 g/mol. Its IUPAC name is 1-[(4-chloro-2-fluorophenyl)methyl]-3-(3-fluoro-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-(3-fluoro-4-pyridinyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID146012488
Molecular FormulaC24H17ClF2N4O
Molecular Weight450.88 g/mol
Exact Mass450.11
IUPAC Name1-[(4-chloro-2-fluorophenyl)methyl]-3-(3-fluoro-4-pyridinyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2c1c(-c1ccncc1F)c(-c1ccncc1)n2Cc1ccc(Cl)cc1F
InChIInChI=1S/C24H17ClF2N4O/c25-16-2-1-15(18(26)11-16)13-31-20-6-10-30-24(32)22(20)21(17-5-9-29-12-19(17)27)23(31)14-3-7-28-8-4-14/h1-5,7-9,11-12H,6,10,13H2,(H,30,32)
InChIKeyMLIPXGSZAKUHIU-UHFFFAOYSA-N
XLogP4.88
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.88
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-3-(3-fluoro-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-(3-fluoro-4-pyridinyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (CID 146012488) is 1-[(4-chloro-2-fluorophenyl)methyl]-3-(3-fluoro-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-(3-fluoro-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-(3-fluoro-4-pyridinyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is O=C1NCCc2c1c(-c1ccncc1F)c(-c1ccncc1)n2Cc1ccc(Cl)cc1F.
What is the InChIKey of 1-[(4-chloro-2-fluorophenyl)methyl]-3-(3-fluoro-4-pyridinyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is MLIPXGSZAKUHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF2N4O/c25-16-2-1-15(18(26)11-16)13-31-20-6-10-30-24(32)22(20)21(17-5-9-29-12-19(17)27)23(31)14-3-7-28-8-4-14/h1-5,7-9,11-12H,6,10,13H2,(H,30,32).
What are the key properties of 1-[(4-chloro-2-fluorophenyl)methyl]-3-(3-fluoro-4-pyridinyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
1-[(4-chloro-2-fluorophenyl)methyl]-3-(3-fluoro-4-pyridinyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 450.88 g/mol, XLogP of 4.88, 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-(3-fluoro-4-pyridinyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 146012488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).