3-(4-chloro-3-fluorophenyl)-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridine-6-carboxamide

C18H15ClFN3O — CID 163389265

IUPAC3-(4-chloro-3-fluorophenyl)-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridine-6-carboxamide
SMILESNC(=O)c1ccc2c(-c3ccc(Cl)c(F)c3)cn(CC3CC3)c2n1
InChIInChI=1S/C18H15ClFN3O/c19-14-5-3-11(7-15(14)20)13-9-23(8-10-1-2-10)18-12(13)4-6-16(22-18)17(21)24/h3-7,9-10H,1-2,8H2,(H2,21,24)
InChIKeyKXKPEIWMJYIDFW-UHFFFAOYSA-N
MW343.79 g/mol
LogP4.00
Rot. Bonds4

About 3-(4-chloro-3-fluorophenyl)-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridine-6-carboxamide

3-(4-chloro-3-fluorophenyl)-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridine-6-carboxamide (PubChem CID 163389265) has the molecular formula C18H15ClFN3O and a molecular weight of 343.79 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenyl)-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenyl)-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridine-6-carboxamide
PubChem CID163389265
Molecular FormulaC18H15ClFN3O
Molecular Weight343.79 g/mol
Exact Mass343.09
IUPAC Name3-(4-chloro-3-fluorophenyl)-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridine-6-carboxamide
SMILESNC(=O)c1ccc2c(-c3ccc(Cl)c(F)c3)cn(CC3CC3)c2n1
InChIInChI=1S/C18H15ClFN3O/c19-14-5-3-11(7-15(14)20)13-9-23(8-10-1-2-10)18-12(13)4-6-16(22-18)17(21)24/h3-7,9-10H,1-2,8H2,(H2,21,24)
InChIKeyKXKPEIWMJYIDFW-UHFFFAOYSA-N
XLogP4.00
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloro-3-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide
CID 163389669
6-chloro-3-(4-chloro-3-fluorophenyl)-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine
CID 174207218
[3-(4-chloro-3-fluorophenyl)-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-6-yl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 163389338
methyl 3-(4-chloro-3-fluorophenyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxylate
CID 163389961
lithium 3-(4-chloro-3-fluorophenyl)-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-b]pyridine-6-carboxylate
CID 163389563
6-[4-[1-(carboxymethyl)-3-(4-chloro-3-fluorophenyl)pyrrolo[2,3-b]pyridine-6-carbonyl]-3,3-dimethylpiperazin-1-yl]-2,4-dimethylpyridine-3-carboxylic acid
CID 163389362
2-[4-[1-tert-butyl-3-(4-chloro-3-fluorophenyl)pyrrolo[2,3-b]pyridine-6-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-N,N-dimethylacetamide
CID 170938161
[1-tert-butyl-3-(4-chloro-3-fluorophenyl)pyrrolo[2,3-b]pyridin-6-yl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone
CID 163389977
1-(2-methylpropyl)-3-pyrimidin-5-ylpyrrolo[2,3-b]pyridine-6-carboxamide
CID 170938053
6-[4-[3-(4-chloro-3-fluorophenyl)-1-[(3-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridine-6-carbonyl]-3,3-dimethylpiperazin-1-yl]-2,4-dimethylpyridine-3-carboxylic acid
CID 163389567
2-[1-[3-(4-chloro-3-fluorophenyl)-1-(2-methylpropyl)indole-6-carbonyl]piperidin-4-yl]acetic acid
CID 163389871
5-(4-chloro-3-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 71247916

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluorophenyl)-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridine-6-carboxamide?
The IUPAC name of 3-(4-chloro-3-fluorophenyl)-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridine-6-carboxamide (CID 163389265) is 3-(4-chloro-3-fluorophenyl)-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-(4-chloro-3-fluorophenyl)-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridine-6-carboxamide?
The canonical SMILES for 3-(4-chloro-3-fluorophenyl)-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridine-6-carboxamide is NC(=O)c1ccc2c(-c3ccc(Cl)c(F)c3)cn(CC3CC3)c2n1.
What is the InChIKey of 3-(4-chloro-3-fluorophenyl)-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridine-6-carboxamide?
The InChIKey is KXKPEIWMJYIDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O/c19-14-5-3-11(7-15(14)20)13-9-23(8-10-1-2-10)18-12(13)4-6-16(22-18)17(21)24/h3-7,9-10H,1-2,8H2,(H2,21,24).
What are the key properties of 3-(4-chloro-3-fluorophenyl)-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridine-6-carboxamide?
3-(4-chloro-3-fluorophenyl)-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridine-6-carboxamide has a molecular weight of 343.79 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenyl)-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 163389265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).