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

C17H17BrN4O — CID 126714929

IUPAC5-bromo-N-[(1S,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
SMILESC[C@@H]1C[C@@]1(NC(=O)c1cc2cc(Br)ccc2[nH]1)c1cnn(C)c1
InChIInChI=1S/C17H17BrN4O/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+/m1/s1
InChIKeyDWNWOEPUWVBYQD-QGHHPUGFSA-N
MW373.25 g/mol
LogP3.33
Rot. Bonds3

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

5-bromo-N-[(1S,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide (PubChem CID 126714929) has the molecular formula C17H17BrN4O and a molecular weight of 373.25 g/mol. Its IUPAC name is 5-bromo-N-[(1S,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(1S,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
PubChem CID126714929
Molecular FormulaC17H17BrN4O
Molecular Weight373.25 g/mol
Exact Mass372.06
IUPAC Name5-bromo-N-[(1S,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
SMILESC[C@@H]1C[C@@]1(NC(=O)c1cc2cc(Br)ccc2[nH]1)c1cnn(C)c1
InChIInChI=1S/C17H17BrN4O/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+/m1/s1
InChIKeyDWNWOEPUWVBYQD-QGHHPUGFSA-N
XLogP3.33
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1S,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-bromo-N-[(1S,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide (CID 126714929) is 5-bromo-N-[(1S,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(1S,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(1S,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide is C[C@@H]1C[C@@]1(NC(=O)c1cc2cc(Br)ccc2[nH]1)c1cnn(C)c1.
What is the InChIKey of 5-bromo-N-[(1S,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
The InChIKey is DWNWOEPUWVBYQD-QGHHPUGFSA-N. The full InChI is InChI=1S/C17H17BrN4O/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+/m1/s1.
What are the key properties of 5-bromo-N-[(1S,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
5-bromo-N-[(1S,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide has a molecular weight of 373.25 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1S,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 126714929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).