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

C16H15BrN4O — CID 118425386

IUPAC5-bromo-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
SMILESCn1cc(C2(NC(=O)c3cc4cc(Br)ccc4[nH]3)CC2)cn1
InChIInChI=1S/C16H15BrN4O/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/h2-3,6-9,19H,4-5H2,1H3,(H,20,22)
InChIKeyFBDONUPRDQZQBW-UHFFFAOYSA-N
MW359.23 g/mol
LogP3.08
Rot. Bonds3

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

5-bromo-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide (PubChem CID 118425386) has the molecular formula C16H15BrN4O and a molecular weight of 359.23 g/mol. Its IUPAC name is 5-bromo-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
PubChem CID118425386
Molecular FormulaC16H15BrN4O
Molecular Weight359.23 g/mol
Exact Mass358.04
IUPAC Name5-bromo-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
SMILESCn1cc(C2(NC(=O)c3cc4cc(Br)ccc4[nH]3)CC2)cn1
InChIInChI=1S/C16H15BrN4O/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/h2-3,6-9,19H,4-5H2,1H3,(H,20,22)
InChIKeyFBDONUPRDQZQBW-UHFFFAOYSA-N
XLogP3.08
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide (CID 118425386) is 5-bromo-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide is Cn1cc(C2(NC(=O)c3cc4cc(Br)ccc4[nH]3)CC2)cn1.
What is the InChIKey of 5-bromo-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
The InChIKey is FBDONUPRDQZQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O/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/h2-3,6-9,19H,4-5H2,1H3,(H,20,22).
What are the key properties of 5-bromo-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
5-bromo-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide has a molecular weight of 359.23 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 118425386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).