7-chloro-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide

C15H11ClFN3O — CID 134369516

IUPAC7-chloro-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESNC(=O)c1cn(Cc2ccc(F)cc2)c2c(Cl)ccnc12
InChIInChI=1S/C15H11ClFN3O/c16-12-5-6-19-13-11(15(18)21)8-20(14(12)13)7-9-1-3-10(17)4-2-9/h1-6,8H,7H2,(H2,18,21)
InChIKeyUFEDLWQMBFTTLM-UHFFFAOYSA-N
MW303.72 g/mol
LogP2.98
Rot. Bonds3

About 7-chloro-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide

7-chloro-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 134369516) has the molecular formula C15H11ClFN3O and a molecular weight of 303.72 g/mol. Its IUPAC name is 7-chloro-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name7-chloro-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
PubChem CID134369516
Molecular FormulaC15H11ClFN3O
Molecular Weight303.72 g/mol
Exact Mass303.06
IUPAC Name7-chloro-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESNC(=O)c1cn(Cc2ccc(F)cc2)c2c(Cl)ccnc12
InChIInChI=1S/C15H11ClFN3O/c16-12-5-6-19-13-11(15(18)21)8-20(14(12)13)7-9-1-3-10(17)4-2-9/h1-6,8H,7H2,(H2,18,21)
InChIKeyUFEDLWQMBFTTLM-UHFFFAOYSA-N
XLogP2.98
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 7-chloro-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide (CID 134369516) is 7-chloro-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 7-chloro-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 7-chloro-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide is NC(=O)c1cn(Cc2ccc(F)cc2)c2c(Cl)ccnc12.
What is the InChIKey of 7-chloro-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
The InChIKey is UFEDLWQMBFTTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O/c16-12-5-6-19-13-11(15(18)21)8-20(14(12)13)7-9-1-3-10(17)4-2-9/h1-6,8H,7H2,(H2,18,21).
What are the key properties of 7-chloro-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
7-chloro-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 303.72 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 134369516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).