6-(2,4-difluoro-3-methylphenyl)-1-[(5-fluoro-3-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one

C20H14F3N3O — CID 159043288

IUPAC6-(2,4-difluoro-3-methylphenyl)-1-[(5-fluoro-3-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one
SMILESCc1c(F)ccc(-c2cnc3c(c2)N(Cc2cncc(F)c2)C(=O)C3)c1F
InChIInChI=1S/C20H14F3N3O/c1-11-16(22)3-2-15(20(11)23)13-5-18-17(25-8-13)6-19(27)26(18)10-12-4-14(21)9-24-7-12/h2-5,7-9H,6,10H2,1H3
InChIKeyJWIPUGZMTZQASV-UHFFFAOYSA-N
MW369.35 g/mol
LogP3.96
Rot. Bonds3

About 6-(2,4-difluoro-3-methylphenyl)-1-[(5-fluoro-3-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one

6-(2,4-difluoro-3-methylphenyl)-1-[(5-fluoro-3-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one (PubChem CID 159043288) has the molecular formula C20H14F3N3O and a molecular weight of 369.35 g/mol. Its IUPAC name is 6-(2,4-difluoro-3-methylphenyl)-1-[(5-fluoro-3-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one.

Molecular Properties

Compound Name6-(2,4-difluoro-3-methylphenyl)-1-[(5-fluoro-3-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one
PubChem CID159043288
Molecular FormulaC20H14F3N3O
Molecular Weight369.35 g/mol
Exact Mass369.11
IUPAC Name6-(2,4-difluoro-3-methylphenyl)-1-[(5-fluoro-3-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one
SMILESCc1c(F)ccc(-c2cnc3c(c2)N(Cc2cncc(F)c2)C(=O)C3)c1F
InChIInChI=1S/C20H14F3N3O/c1-11-16(22)3-2-15(20(11)23)13-5-18-17(25-8-13)6-19(27)26(18)10-12-4-14(21)9-24-7-12/h2-5,7-9H,6,10H2,1H3
InChIKeyJWIPUGZMTZQASV-UHFFFAOYSA-N
XLogP3.96
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluoro-3-methylphenyl)-1-[(5-fluoro-3-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one?
The IUPAC name of 6-(2,4-difluoro-3-methylphenyl)-1-[(5-fluoro-3-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one (CID 159043288) is 6-(2,4-difluoro-3-methylphenyl)-1-[(5-fluoro-3-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one.
What is the SMILES notation for 6-(2,4-difluoro-3-methylphenyl)-1-[(5-fluoro-3-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one?
The canonical SMILES for 6-(2,4-difluoro-3-methylphenyl)-1-[(5-fluoro-3-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one is Cc1c(F)ccc(-c2cnc3c(c2)N(Cc2cncc(F)c2)C(=O)C3)c1F.
What is the InChIKey of 6-(2,4-difluoro-3-methylphenyl)-1-[(5-fluoro-3-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one?
The InChIKey is JWIPUGZMTZQASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O/c1-11-16(22)3-2-15(20(11)23)13-5-18-17(25-8-13)6-19(27)26(18)10-12-4-14(21)9-24-7-12/h2-5,7-9H,6,10H2,1H3.
What are the key properties of 6-(2,4-difluoro-3-methylphenyl)-1-[(5-fluoro-3-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one?
6-(2,4-difluoro-3-methylphenyl)-1-[(5-fluoro-3-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one has a molecular weight of 369.35 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluoro-3-methylphenyl)-1-[(5-fluoro-3-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one is sourced from PubChem (CID 159043288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).