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

C16H16ClFN4O — CID 144935841

IUPAC5-chloro-6-fluoro-N-[1-(1-methylpyrazol-4-yl)propyl]-1H-indole-2-carboxamide
SMILESCCC(NC(=O)c1cc2cc(Cl)c(F)cc2[nH]1)c1cnn(C)c1
InChIInChI=1S/C16H16ClFN4O/c1-3-13(10-7-19-22(2)8-10)21-16(23)15-5-9-4-11(17)12(18)6-14(9)20-15/h4-8,13,20H,3H2,1-2H3,(H,21,23)
InChIKeySWDFVQBQENUDHH-UHFFFAOYSA-N
MW334.78 g/mol
LogP3.58
Rot. Bonds4

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

5-chloro-6-fluoro-N-[1-(1-methylpyrazol-4-yl)propyl]-1H-indole-2-carboxamide (PubChem CID 144935841) has the molecular formula C16H16ClFN4O and a molecular weight of 334.78 g/mol. Its IUPAC name is 5-chloro-6-fluoro-N-[1-(1-methylpyrazol-4-yl)propyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-6-fluoro-N-[1-(1-methylpyrazol-4-yl)propyl]-1H-indole-2-carboxamide
PubChem CID144935841
Molecular FormulaC16H16ClFN4O
Molecular Weight334.78 g/mol
Exact Mass334.10
IUPAC Name5-chloro-6-fluoro-N-[1-(1-methylpyrazol-4-yl)propyl]-1H-indole-2-carboxamide
SMILESCCC(NC(=O)c1cc2cc(Cl)c(F)cc2[nH]1)c1cnn(C)c1
InChIInChI=1S/C16H16ClFN4O/c1-3-13(10-7-19-22(2)8-10)21-16(23)15-5-9-4-11(17)12(18)6-14(9)20-15/h4-8,13,20H,3H2,1-2H3,(H,21,23)
InChIKeySWDFVQBQENUDHH-UHFFFAOYSA-N
XLogP3.58
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 53.58
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)propyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-6-fluoro-N-[1-(1-methylpyrazol-4-yl)propyl]-1H-indole-2-carboxamide (CID 144935841) is 5-chloro-6-fluoro-N-[1-(1-methylpyrazol-4-yl)propyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-6-fluoro-N-[1-(1-methylpyrazol-4-yl)propyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-6-fluoro-N-[1-(1-methylpyrazol-4-yl)propyl]-1H-indole-2-carboxamide is CCC(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)propyl]-1H-indole-2-carboxamide?
The InChIKey is SWDFVQBQENUDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN4O/c1-3-13(10-7-19-22(2)8-10)21-16(23)15-5-9-4-11(17)12(18)6-14(9)20-15/h4-8,13,20H,3H2,1-2H3,(H,21,23).
What are the key properties of 5-chloro-6-fluoro-N-[1-(1-methylpyrazol-4-yl)propyl]-1H-indole-2-carboxamide?
5-chloro-6-fluoro-N-[1-(1-methylpyrazol-4-yl)propyl]-1H-indole-2-carboxamide has a molecular weight of 334.78 g/mol, XLogP of 3.58, 4 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)propyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 144935841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).