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

C32H37ClN6O2 — CID 144935683

IUPAC5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;ethane;5-methyl-N-(1-methylcyclopropyl)-1H-indole-2-carboxamide
SMILESCC.Cc1ccc2[nH]c(C(=O)NC3(C)CC3)cc2c1.Cn1cc(C2(NC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cn1
InChIInChI=1S/C16H15ClN4O.C14H16N2O.C2H6/c1-21-9-11(8-18-21)16(4-5-16)20-15(22)14-7-10-6-12(17)2-3-13(10)19-14;1-9-3-4-11-10(7-9)8-12(15-11)13(17)16-14(2)5-6-14;1-2/h2-3,6-9,19H,4-5H2,1H3,(H,20,22);3-4,7-8,15H,5-6H2,1-2H3,(H,16,17);1-2H3
InChIKeyFRDNLBPEONITRF-UHFFFAOYSA-N
MW573.14 g/mol
LogP6.76
Rot. Bonds5

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

5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;ethane;5-methyl-N-(1-methylcyclopropyl)-1H-indole-2-carboxamide (PubChem CID 144935683) has the molecular formula C32H37ClN6O2 and a molecular weight of 573.14 g/mol. Its IUPAC name is 5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;ethane;5-methyl-N-(1-methylcyclopropyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;ethane;5-methyl-N-(1-methylcyclopropyl)-1H-indole-2-carboxamide
PubChem CID144935683
Molecular FormulaC32H37ClN6O2
Molecular Weight573.14 g/mol
Exact Mass572.27
IUPAC Name5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;ethane;5-methyl-N-(1-methylcyclopropyl)-1H-indole-2-carboxamide
SMILESCC.Cc1ccc2[nH]c(C(=O)NC3(C)CC3)cc2c1.Cn1cc(C2(NC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cn1
InChIInChI=1S/C16H15ClN4O.C14H16N2O.C2H6/c1-21-9-11(8-18-21)16(4-5-16)20-15(22)14-7-10-6-12(17)2-3-13(10)19-14;1-9-3-4-11-10(7-9)8-12(15-11)13(17)16-14(2)5-6-14;1-2/h2-3,6-9,19H,4-5H2,1H3,(H,20,22);3-4,7-8,15H,5-6H2,1-2H3,(H,16,17);1-2H3
InChIKeyFRDNLBPEONITRF-UHFFFAOYSA-N
XLogP6.76
TPSA107.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.14
LogP ≤ 56.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-(1-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-5-carbonyl)-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide
CID 25114098
2-tert-butyl-1'-(3-chloro-1H-indole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 56967949
5-chloro-3-[methoxy-(3-pyrazol-1-ylphenyl)phosphoryl]-1H-indole-2-carboxamide
CID 57681376
(2S)-2-({4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-1H-pyrrol-2-yl}formamido)-N-methyl-2-phenylacetamide
CID 135523948
5-chloro-3-[4-(1H-pyrazol-5-yl)phenyl]-1H-indole-2-carboxamide
CID 162649972
4,6-dichloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 164627170
3-((1H-Pyrazol-1-yl)methyl)-N-(2-(5-Chloro-1H-indol-3-yl)ethyl)benzamide
CID 67974080
4-((1H-Pyrazol-1-yl)methyl)-N-(2-(5-Chloro-1H-indol-3-yl)ethyl)benzamide
CID 67974590
US10343992, Example 157
CID 122590742
US10343992, Example 130
CID 122590920
2-[3-acetyl-5-(1-methylpyrazol-3-yl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide
CID 130299963
1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-(pyridin-2-ylmethyl)indazole-3,5-dicarboxamide
CID 130300108

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;ethane;5-methyl-N-(1-methylcyclopropyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;ethane;5-methyl-N-(1-methylcyclopropyl)-1H-indole-2-carboxamide (CID 144935683) is 5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;ethane;5-methyl-N-(1-methylcyclopropyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;ethane;5-methyl-N-(1-methylcyclopropyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;ethane;5-methyl-N-(1-methylcyclopropyl)-1H-indole-2-carboxamide is CC.Cc1ccc2[nH]c(C(=O)NC3(C)CC3)cc2c1.Cn1cc(C2(NC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cn1.
What is the InChIKey of 5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;ethane;5-methyl-N-(1-methylcyclopropyl)-1H-indole-2-carboxamide?
The InChIKey is FRDNLBPEONITRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O.C14H16N2O.C2H6/c1-21-9-11(8-18-21)16(4-5-16)20-15(22)14-7-10-6-12(17)2-3-13(10)19-14;1-9-3-4-11-10(7-9)8-12(15-11)13(17)16-14(2)5-6-14;1-2/h2-3,6-9,19H,4-5H2,1H3,(H,20,22);3-4,7-8,15H,5-6H2,1-2H3,(H,16,17);1-2H3.
What are the key properties of 5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;ethane;5-methyl-N-(1-methylcyclopropyl)-1H-indole-2-carboxamide?
5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;ethane;5-methyl-N-(1-methylcyclopropyl)-1H-indole-2-carboxamide has a molecular weight of 573.14 g/mol, XLogP of 6.76, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;ethane;5-methyl-N-(1-methylcyclopropyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 144935683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).