5-cyano-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[(1S,2S)-2-methyl-1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide

C37H35N9O2 — CID 157117148

IUPAC5-cyano-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[(1S,2S)-2-methyl-1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide
SMILESC[C@@H]1C[C@]1(NC(=O)c1cc2cc(C#N)ccc2[nH]1)c1cnn(C)c1.C[C@H]1C[C@@]1(NC(=O)c1cc2cc(C#N)ccc2[nH]1)c1ccn(C)c1
InChIInChI=1S/C19H18N4O.C18H17N5O/c1-12-9-19(12,15-5-6-23(2)11-15)22-18(24)17-8-14-7-13(10-20)3-4-16(14)21-17;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/h3-8,11-12,21H,9H2,1-2H3,(H,22,24);3-6,9-11,21H,7H2,1-2H3,(H,22,24)/t12-,19-;11-,18-/m01/s1
InChIKeyAHNRLGUNWOTWSJ-BZKGHNIVSA-N
MW637.75 g/mol
LogP5.48
Rot. Bonds6

About 5-cyano-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[(1S,2S)-2-methyl-1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide

5-cyano-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[(1S,2S)-2-methyl-1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide (PubChem CID 157117148) has the molecular formula C37H35N9O2 and a molecular weight of 637.75 g/mol. Its IUPAC name is 5-cyano-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[(1S,2S)-2-methyl-1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[(1S,2S)-2-methyl-1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide
PubChem CID157117148
Molecular FormulaC37H35N9O2
Molecular Weight637.75 g/mol
Exact Mass637.29
IUPAC Name5-cyano-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[(1S,2S)-2-methyl-1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide
SMILESC[C@@H]1C[C@]1(NC(=O)c1cc2cc(C#N)ccc2[nH]1)c1cnn(C)c1.C[C@H]1C[C@@]1(NC(=O)c1cc2cc(C#N)ccc2[nH]1)c1ccn(C)c1
InChIInChI=1S/C19H18N4O.C18H17N5O/c1-12-9-19(12,15-5-6-23(2)11-15)22-18(24)17-8-14-7-13(10-20)3-4-16(14)21-17;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/h3-8,11-12,21H,9H2,1-2H3,(H,22,24);3-6,9-11,21H,7H2,1-2H3,(H,22,24)/t12-,19-;11-,18-/m01/s1
InChIKeyAHNRLGUNWOTWSJ-BZKGHNIVSA-N
XLogP5.48
TPSA160.11 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.75
LogP ≤ 55.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 5-cyano-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[(1S,2S)-2-methyl-1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[(1S,2S)-2-methyl-1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-cyano-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[(1S,2S)-2-methyl-1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide (CID 157117148) is 5-cyano-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[(1S,2S)-2-methyl-1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[(1S,2S)-2-methyl-1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[(1S,2S)-2-methyl-1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide is C[C@@H]1C[C@]1(NC(=O)c1cc2cc(C#N)ccc2[nH]1)c1cnn(C)c1.C[C@H]1C[C@@]1(NC(=O)c1cc2cc(C#N)ccc2[nH]1)c1ccn(C)c1.
What is the InChIKey of 5-cyano-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[(1S,2S)-2-methyl-1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide?
The InChIKey is AHNRLGUNWOTWSJ-BZKGHNIVSA-N. The full InChI is InChI=1S/C19H18N4O.C18H17N5O/c1-12-9-19(12,15-5-6-23(2)11-15)22-18(24)17-8-14-7-13(10-20)3-4-16(14)21-17;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/h3-8,11-12,21H,9H2,1-2H3,(H,22,24);3-6,9-11,21H,7H2,1-2H3,(H,22,24)/t12-,19-;11-,18-/m01/s1.
What are the key properties of 5-cyano-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[(1S,2S)-2-methyl-1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide?
5-cyano-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[(1S,2S)-2-methyl-1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide has a molecular weight of 637.75 g/mol, XLogP of 5.48, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[(1S,2S)-2-methyl-1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 157117148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).