6-(3-chloro-4-fluorophenyl)-1-[(1-methylpyrazol-3-yl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one

C18H14ClFN4O — CID 147738744

IUPAC6-(3-chloro-4-fluorophenyl)-1-[(1-methylpyrazol-3-yl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one
SMILESCn1ccc(CN2C(=O)Cc3ncc(-c4ccc(F)c(Cl)c4)cc32)n1
InChIInChI=1S/C18H14ClFN4O/c1-23-5-4-13(22-23)10-24-17-7-12(9-21-16(17)8-18(24)25)11-2-3-15(20)14(19)6-11/h2-7,9H,8,10H2,1H3
InChIKeyGZXBSQODFWTUTD-UHFFFAOYSA-N
MW356.79 g/mol
LogP3.36
Rot. Bonds3

About 6-(3-chloro-4-fluorophenyl)-1-[(1-methylpyrazol-3-yl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one

6-(3-chloro-4-fluorophenyl)-1-[(1-methylpyrazol-3-yl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one (PubChem CID 147738744) has the molecular formula C18H14ClFN4O and a molecular weight of 356.79 g/mol. Its IUPAC name is 6-(3-chloro-4-fluorophenyl)-1-[(1-methylpyrazol-3-yl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one.

Molecular Properties

Compound Name6-(3-chloro-4-fluorophenyl)-1-[(1-methylpyrazol-3-yl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one
PubChem CID147738744
Molecular FormulaC18H14ClFN4O
Molecular Weight356.79 g/mol
Exact Mass356.08
IUPAC Name6-(3-chloro-4-fluorophenyl)-1-[(1-methylpyrazol-3-yl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one
SMILESCn1ccc(CN2C(=O)Cc3ncc(-c4ccc(F)c(Cl)c4)cc32)n1
InChIInChI=1S/C18H14ClFN4O/c1-23-5-4-13(22-23)10-24-17-7-12(9-21-16(17)8-18(24)25)11-2-3-15(20)14(19)6-11/h2-7,9H,8,10H2,1H3
InChIKeyGZXBSQODFWTUTD-UHFFFAOYSA-N
XLogP3.36
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.79
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-fluorophenyl)-1-[(1-methylpyrazol-3-yl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one?
The IUPAC name of 6-(3-chloro-4-fluorophenyl)-1-[(1-methylpyrazol-3-yl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one (CID 147738744) is 6-(3-chloro-4-fluorophenyl)-1-[(1-methylpyrazol-3-yl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one.
What is the SMILES notation for 6-(3-chloro-4-fluorophenyl)-1-[(1-methylpyrazol-3-yl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one?
The canonical SMILES for 6-(3-chloro-4-fluorophenyl)-1-[(1-methylpyrazol-3-yl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one is Cn1ccc(CN2C(=O)Cc3ncc(-c4ccc(F)c(Cl)c4)cc32)n1.
What is the InChIKey of 6-(3-chloro-4-fluorophenyl)-1-[(1-methylpyrazol-3-yl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one?
The InChIKey is GZXBSQODFWTUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O/c1-23-5-4-13(22-23)10-24-17-7-12(9-21-16(17)8-18(24)25)11-2-3-15(20)14(19)6-11/h2-7,9H,8,10H2,1H3.
What are the key properties of 6-(3-chloro-4-fluorophenyl)-1-[(1-methylpyrazol-3-yl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one?
6-(3-chloro-4-fluorophenyl)-1-[(1-methylpyrazol-3-yl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one has a molecular weight of 356.79 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-fluorophenyl)-1-[(1-methylpyrazol-3-yl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one is sourced from PubChem (CID 147738744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).