5-chloro-N-[(2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide

C17H17ClN4O — CID 146676658

IUPAC5-chloro-N-[(2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
SMILESC[C@H]1CC1(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cnn(C)c1
InChIInChI=1S/C17H17ClN4O/c1-10-7-17(10,12-8-19-22(2)9-12)21-16(23)15-6-11-5-13(18)3-4-14(11)20-15/h3-6,8-10,20H,7H2,1-2H3,(H,21,23)/t10-,17?/m0/s1
InChIKeyDCZZRCWNRBANBS-YOZOHBORSA-N
MW328.80 g/mol
LogP3.22
Rot. Bonds3

About 5-chloro-N-[(2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide

5-chloro-N-[(2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide (PubChem CID 146676658) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is 5-chloro-N-[(2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
PubChem CID146676658
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name5-chloro-N-[(2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
SMILESC[C@H]1CC1(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cnn(C)c1
InChIInChI=1S/C17H17ClN4O/c1-10-7-17(10,12-8-19-22(2)9-12)21-16(23)15-6-11-5-13(18)3-4-14(11)20-15/h3-6,8-10,20H,7H2,1-2H3,(H,21,23)/t10-,17?/m0/s1
InChIKeyDCZZRCWNRBANBS-YOZOHBORSA-N
XLogP3.22
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.22
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-N-[(2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide (CID 146676658) is 5-chloro-N-[(2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide is C[C@H]1CC1(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cnn(C)c1.
What is the InChIKey of 5-chloro-N-[(2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
The InChIKey is DCZZRCWNRBANBS-YOZOHBORSA-N. The full InChI is InChI=1S/C17H17ClN4O/c1-10-7-17(10,12-8-19-22(2)9-12)21-16(23)15-6-11-5-13(18)3-4-14(11)20-15/h3-6,8-10,20H,7H2,1-2H3,(H,21,23)/t10-,17?/m0/s1.
What are the key properties of 5-chloro-N-[(2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
5-chloro-N-[(2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide has a molecular weight of 328.80 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 146676658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).