bis(5-chloro-1H-indole-2-carboxamide);1-methyl-4-[(1S,2R)-2-methylcyclopropyl]pyrazole;1-methyl-4-[(1R,2S)-2-methylcyclopropyl]pyrazole

C34H38Cl2N8O2 — CID 145277134

IUPACbis(5-chloro-1H-indole-2-carboxamide);1-methyl-4-[(1S,2R)-2-methylcyclopropyl]pyrazole;1-methyl-4-[(1R,2S)-2-methylcyclopropyl]pyrazole
SMILESC[C@@H]1C[C@@H]1c1cnn(C)c1.C[C@H]1C[C@H]1c1cnn(C)c1.NC(=O)c1cc2cc(Cl)ccc2[nH]1.NC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/2C9H7ClN2O.2C8H12N2/c2*10-6-1-2-7-5(3-6)4-8(12-7)9(11)13;2*1-6-3-8(6)7-4-9-10(2)5-7/h2*1-4,12H,(H2,11,13);2*4-6,8H,3H2,1-2H3/t;;2*6-,8+/m..10/s1
InChIKeyGETMBAYQNDXBDM-GNSRYRAISA-N
MW661.64 g/mol
LogP6.93
Rot. Bonds4

About bis(5-chloro-1H-indole-2-carboxamide);1-methyl-4-[(1S,2R)-2-methylcyclopropyl]pyrazole;1-methyl-4-[(1R,2S)-2-methylcyclopropyl]pyrazole

bis(5-chloro-1H-indole-2-carboxamide);1-methyl-4-[(1S,2R)-2-methylcyclopropyl]pyrazole;1-methyl-4-[(1R,2S)-2-methylcyclopropyl]pyrazole (PubChem CID 145277134) has the molecular formula C34H38Cl2N8O2 and a molecular weight of 661.64 g/mol. Its IUPAC name is bis(5-chloro-1H-indole-2-carboxamide);1-methyl-4-[(1S,2R)-2-methylcyclopropyl]pyrazole;1-methyl-4-[(1R,2S)-2-methylcyclopropyl]pyrazole.

Molecular Properties

Compound Namebis(5-chloro-1H-indole-2-carboxamide);1-methyl-4-[(1S,2R)-2-methylcyclopropyl]pyrazole;1-methyl-4-[(1R,2S)-2-methylcyclopropyl]pyrazole
PubChem CID145277134
Molecular FormulaC34H38Cl2N8O2
Molecular Weight661.64 g/mol
Exact Mass660.25
IUPAC Namebis(5-chloro-1H-indole-2-carboxamide);1-methyl-4-[(1S,2R)-2-methylcyclopropyl]pyrazole;1-methyl-4-[(1R,2S)-2-methylcyclopropyl]pyrazole
SMILESC[C@@H]1C[C@@H]1c1cnn(C)c1.C[C@H]1C[C@H]1c1cnn(C)c1.NC(=O)c1cc2cc(Cl)ccc2[nH]1.NC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/2C9H7ClN2O.2C8H12N2/c2*10-6-1-2-7-5(3-6)4-8(12-7)9(11)13;2*1-6-3-8(6)7-4-9-10(2)5-7/h2*1-4,12H,(H2,11,13);2*4-6,8H,3H2,1-2H3/t;;2*6-,8+/m..10/s1
InChIKeyGETMBAYQNDXBDM-GNSRYRAISA-N
XLogP6.93
TPSA153.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.64
LogP ≤ 56.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-3-[methoxy-(3-pyrazol-1-ylphenyl)phosphoryl]-1H-indole-2-carboxamide
CID 57681376
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
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
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(pyridin-3-yl)-1H-pyrazole-5-carboxamide
CID 110204412
(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
5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
CID 118425208

Frequently Asked Questions

What is the IUPAC name of bis(5-chloro-1H-indole-2-carboxamide);1-methyl-4-[(1S,2R)-2-methylcyclopropyl]pyrazole;1-methyl-4-[(1R,2S)-2-methylcyclopropyl]pyrazole?
The IUPAC name of bis(5-chloro-1H-indole-2-carboxamide);1-methyl-4-[(1S,2R)-2-methylcyclopropyl]pyrazole;1-methyl-4-[(1R,2S)-2-methylcyclopropyl]pyrazole (CID 145277134) is bis(5-chloro-1H-indole-2-carboxamide);1-methyl-4-[(1S,2R)-2-methylcyclopropyl]pyrazole;1-methyl-4-[(1R,2S)-2-methylcyclopropyl]pyrazole.
What is the SMILES notation for bis(5-chloro-1H-indole-2-carboxamide);1-methyl-4-[(1S,2R)-2-methylcyclopropyl]pyrazole;1-methyl-4-[(1R,2S)-2-methylcyclopropyl]pyrazole?
The canonical SMILES for bis(5-chloro-1H-indole-2-carboxamide);1-methyl-4-[(1S,2R)-2-methylcyclopropyl]pyrazole;1-methyl-4-[(1R,2S)-2-methylcyclopropyl]pyrazole is C[C@@H]1C[C@@H]1c1cnn(C)c1.C[C@H]1C[C@H]1c1cnn(C)c1.NC(=O)c1cc2cc(Cl)ccc2[nH]1.NC(=O)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of bis(5-chloro-1H-indole-2-carboxamide);1-methyl-4-[(1S,2R)-2-methylcyclopropyl]pyrazole;1-methyl-4-[(1R,2S)-2-methylcyclopropyl]pyrazole?
The InChIKey is GETMBAYQNDXBDM-GNSRYRAISA-N. The full InChI is InChI=1S/2C9H7ClN2O.2C8H12N2/c2*10-6-1-2-7-5(3-6)4-8(12-7)9(11)13;2*1-6-3-8(6)7-4-9-10(2)5-7/h2*1-4,12H,(H2,11,13);2*4-6,8H,3H2,1-2H3/t;;2*6-,8+/m..10/s1.
What are the key properties of bis(5-chloro-1H-indole-2-carboxamide);1-methyl-4-[(1S,2R)-2-methylcyclopropyl]pyrazole;1-methyl-4-[(1R,2S)-2-methylcyclopropyl]pyrazole?
bis(5-chloro-1H-indole-2-carboxamide);1-methyl-4-[(1S,2R)-2-methylcyclopropyl]pyrazole;1-methyl-4-[(1R,2S)-2-methylcyclopropyl]pyrazole has a molecular weight of 661.64 g/mol, XLogP of 6.93, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-chloro-1H-indole-2-carboxamide);1-methyl-4-[(1S,2R)-2-methylcyclopropyl]pyrazole;1-methyl-4-[(1R,2S)-2-methylcyclopropyl]pyrazole is sourced from PubChem (CID 145277134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).