5-chloro-N-[1-[1-(4-fluorophenyl)pyrazol-4-yl]-2-methylcyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide

C40H35ClFN9O2 — CID 145277120

IUPAC5-chloro-N-[1-[1-(4-fluorophenyl)pyrazol-4-yl]-2-methylcyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
SMILESCC1CC1(NC(=O)c1cc2cc(C#N)ccc2[nH]1)c1cnn(C)c1.CC1CC1(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C22H18ClFN4O.C18H17N5O/c1-13-10-22(13,15-11-25-28(12-15)18-5-3-17(24)4-6-18)27-21(29)20-9-14-8-16(23)2-7-19(14)26-20;1-11-7-18(11,14-9-20-23(2)10-14)22-17(24)16-6-13-5-12(8-19)3-4-15(13)21-16/h2-9,11-13,26H,10H2,1H3,(H,27,29);3-6,9-11,21H,7H2,1-2H3,(H,22,24)
InChIKeyCSGNTTSURRARFM-UHFFFAOYSA-N
MW728.23 g/mol
LogP7.25
Rot. Bonds7

About 5-chloro-N-[1-[1-(4-fluorophenyl)pyrazol-4-yl]-2-methylcyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide

5-chloro-N-[1-[1-(4-fluorophenyl)pyrazol-4-yl]-2-methylcyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide (PubChem CID 145277120) has the molecular formula C40H35ClFN9O2 and a molecular weight of 728.23 g/mol. Its IUPAC name is 5-chloro-N-[1-[1-(4-fluorophenyl)pyrazol-4-yl]-2-methylcyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-[1-(4-fluorophenyl)pyrazol-4-yl]-2-methylcyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
PubChem CID145277120
Molecular FormulaC40H35ClFN9O2
Molecular Weight728.23 g/mol
Exact Mass727.26
IUPAC Name5-chloro-N-[1-[1-(4-fluorophenyl)pyrazol-4-yl]-2-methylcyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
SMILESCC1CC1(NC(=O)c1cc2cc(C#N)ccc2[nH]1)c1cnn(C)c1.CC1CC1(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C22H18ClFN4O.C18H17N5O/c1-13-10-22(13,15-11-25-28(12-15)18-5-3-17(24)4-6-18)27-21(29)20-9-14-8-16(23)2-7-19(14)26-20;1-11-7-18(11,14-9-20-23(2)10-14)22-17(24)16-6-13-5-12(8-19)3-4-15(13)21-16/h2-9,11-13,26H,10H2,1H3,(H,27,29);3-6,9-11,21H,7H2,1-2H3,(H,22,24)
InChIKeyCSGNTTSURRARFM-UHFFFAOYSA-N
XLogP7.25
TPSA149.21 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.23
LogP ≤ 57.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 5-chloro-N-[1-[1-(4-fluorophenyl)pyrazol-4-yl]-2-methylcyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

US10807952, Cmp No. 90
CID 135221677
5-chloro-4-fluoro-N-[(2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
CID 146676660
5-chloro-N-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
CID 126714902
5-chloro-N-[1-(3-ethyl-1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
CID 126715119
5-chloro-N-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
CID 139299152
(3R,3'R,4'R)-5-chloro-4'-(1,3-diphenylpyrazol-4-yl)-3'-(1H-indole-3-carbonyl)-1'-methyl-2-oxospiro[1H-indole-3,5'-pyrrolidine]-3'-carbonitrile
CID 118724220
US10807952, Cmp No. 86
CID 135221649
5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
CID 118425208
5-chloro-N-[1-(1-ethylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
CID 118425246
5-chloro-N-[(1R,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
CID 126714927
5-chloro-N-[(2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
CID 146676658
5-chloro-7-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
CID 118425277

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[1-(4-fluorophenyl)pyrazol-4-yl]-2-methylcyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-[1-(4-fluorophenyl)pyrazol-4-yl]-2-methylcyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide (CID 145277120) is 5-chloro-N-[1-[1-(4-fluorophenyl)pyrazol-4-yl]-2-methylcyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-[1-(4-fluorophenyl)pyrazol-4-yl]-2-methylcyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-[1-(4-fluorophenyl)pyrazol-4-yl]-2-methylcyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide is CC1CC1(NC(=O)c1cc2cc(C#N)ccc2[nH]1)c1cnn(C)c1.CC1CC1(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cnn(-c2ccc(F)cc2)c1.
What is the InChIKey of 5-chloro-N-[1-[1-(4-fluorophenyl)pyrazol-4-yl]-2-methylcyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
The InChIKey is CSGNTTSURRARFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN4O.C18H17N5O/c1-13-10-22(13,15-11-25-28(12-15)18-5-3-17(24)4-6-18)27-21(29)20-9-14-8-16(23)2-7-19(14)26-20;1-11-7-18(11,14-9-20-23(2)10-14)22-17(24)16-6-13-5-12(8-19)3-4-15(13)21-16/h2-9,11-13,26H,10H2,1H3,(H,27,29);3-6,9-11,21H,7H2,1-2H3,(H,22,24).
What are the key properties of 5-chloro-N-[1-[1-(4-fluorophenyl)pyrazol-4-yl]-2-methylcyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
5-chloro-N-[1-[1-(4-fluorophenyl)pyrazol-4-yl]-2-methylcyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide has a molecular weight of 728.23 g/mol, XLogP of 7.25, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[1-(4-fluorophenyl)pyrazol-4-yl]-2-methylcyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 145277120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).