5-chloro-6-fluoro-N-[1-(1-methylpyrazol-4-yl)butyl]-1H-indole-2-carboxamide

C17H18ClFN4O — CID 144935457

IUPAC5-chloro-6-fluoro-N-[1-(1-methylpyrazol-4-yl)butyl]-1H-indole-2-carboxamide
SMILESCCCC(NC(=O)c1cc2cc(Cl)c(F)cc2[nH]1)c1cnn(C)c1
InChIInChI=1S/C17H18ClFN4O/c1-3-4-14(11-8-20-23(2)9-11)22-17(24)16-6-10-5-12(18)13(19)7-15(10)21-16/h5-9,14,21H,3-4H2,1-2H3,(H,22,24)
InChIKeyQBIMJWNJBGPJQK-UHFFFAOYSA-N
MW348.81 g/mol
LogP3.97
Rot. Bonds5

About 5-chloro-6-fluoro-N-[1-(1-methylpyrazol-4-yl)butyl]-1H-indole-2-carboxamide

5-chloro-6-fluoro-N-[1-(1-methylpyrazol-4-yl)butyl]-1H-indole-2-carboxamide (PubChem CID 144935457) has the molecular formula C17H18ClFN4O and a molecular weight of 348.81 g/mol. Its IUPAC name is 5-chloro-6-fluoro-N-[1-(1-methylpyrazol-4-yl)butyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-6-fluoro-N-[1-(1-methylpyrazol-4-yl)butyl]-1H-indole-2-carboxamide
PubChem CID144935457
Molecular FormulaC17H18ClFN4O
Molecular Weight348.81 g/mol
Exact Mass348.12
IUPAC Name5-chloro-6-fluoro-N-[1-(1-methylpyrazol-4-yl)butyl]-1H-indole-2-carboxamide
SMILESCCCC(NC(=O)c1cc2cc(Cl)c(F)cc2[nH]1)c1cnn(C)c1
InChIInChI=1S/C17H18ClFN4O/c1-3-4-14(11-8-20-23(2)9-11)22-17(24)16-6-10-5-12(18)13(19)7-15(10)21-16/h5-9,14,21H,3-4H2,1-2H3,(H,22,24)
InChIKeyQBIMJWNJBGPJQK-UHFFFAOYSA-N
XLogP3.97
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-Benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 135449325
Factor D inhibitor 6
CID 68283608
4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 135453331
4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-N-ethyl-N-methyl-1H-pyrrole-2-carboxamide
CID 135523935
N-Benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-N-methyl-1H-pyrrole-2-carboxamide
CID 135523938
4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-N-(2-(pyridin-3-yl)-ethyl)-1H-pyrrole-2-carboxamide
CID 135523940
4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-N-((R)-1-phenylethyl)-1H-pyrrole-2-carboxamide
CID 135523941
N-((S)-Carbamoyl(phenyl)methyl)-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 135523947
4-(3-chlorophenyl)-3-[5-(pyrrolidin-1-ylcarbonyl)-1H-pyrrol-3-yl]-1H-pyrazole
CID 135523954
4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-N-[(3,4-difluorophenyl)methyl]-1H-pyrrole-2-carboxamide
CID 135523957
4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-N-((S)-1-phenylethyl)-1H-pyrrole-2-carboxamide
CID 135523960
4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide
CID 135529466

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-N-[1-(1-methylpyrazol-4-yl)butyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-6-fluoro-N-[1-(1-methylpyrazol-4-yl)butyl]-1H-indole-2-carboxamide (CID 144935457) is 5-chloro-6-fluoro-N-[1-(1-methylpyrazol-4-yl)butyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-6-fluoro-N-[1-(1-methylpyrazol-4-yl)butyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-6-fluoro-N-[1-(1-methylpyrazol-4-yl)butyl]-1H-indole-2-carboxamide is CCCC(NC(=O)c1cc2cc(Cl)c(F)cc2[nH]1)c1cnn(C)c1.
What is the InChIKey of 5-chloro-6-fluoro-N-[1-(1-methylpyrazol-4-yl)butyl]-1H-indole-2-carboxamide?
The InChIKey is QBIMJWNJBGPJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN4O/c1-3-4-14(11-8-20-23(2)9-11)22-17(24)16-6-10-5-12(18)13(19)7-15(10)21-16/h5-9,14,21H,3-4H2,1-2H3,(H,22,24).
What are the key properties of 5-chloro-6-fluoro-N-[1-(1-methylpyrazol-4-yl)butyl]-1H-indole-2-carboxamide?
5-chloro-6-fluoro-N-[1-(1-methylpyrazol-4-yl)butyl]-1H-indole-2-carboxamide has a molecular weight of 348.81 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-N-[1-(1-methylpyrazol-4-yl)butyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 144935457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).