5-bromo-7-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide

C16H14BrFN4O — CID 140907594

IUPAC5-bromo-7-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
SMILESCn1cc(C2(NC(=O)c3cc4cc(Br)cc(F)c4[nH]3)CC2)cn1
InChIInChI=1S/C16H14BrFN4O/c1-22-8-10(7-19-22)16(2-3-16)21-15(23)13-5-9-4-11(17)6-12(18)14(9)20-13/h4-8,20H,2-3H2,1H3,(H,21,23)
InChIKeyUDFJHOQNQHIJRR-UHFFFAOYSA-N
MW377.22 g/mol
LogP3.22
Rot. Bonds3

About 5-bromo-7-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide

5-bromo-7-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide (PubChem CID 140907594) has the molecular formula C16H14BrFN4O and a molecular weight of 377.22 g/mol. Its IUPAC name is 5-bromo-7-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-bromo-7-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
PubChem CID140907594
Molecular FormulaC16H14BrFN4O
Molecular Weight377.22 g/mol
Exact Mass376.03
IUPAC Name5-bromo-7-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
SMILESCn1cc(C2(NC(=O)c3cc4cc(Br)cc(F)c4[nH]3)CC2)cn1
InChIInChI=1S/C16H14BrFN4O/c1-22-8-10(7-19-22)16(2-3-16)21-15(23)13-5-9-4-11(17)6-12(18)14(9)20-13/h4-8,20H,2-3H2,1H3,(H,21,23)
InChIKeyUDFJHOQNQHIJRR-UHFFFAOYSA-N
XLogP3.22
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.22
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-bromo-7-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide (CID 140907594) is 5-bromo-7-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-bromo-7-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-bromo-7-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide is Cn1cc(C2(NC(=O)c3cc4cc(Br)cc(F)c4[nH]3)CC2)cn1.
What is the InChIKey of 5-bromo-7-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
The InChIKey is UDFJHOQNQHIJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN4O/c1-22-8-10(7-19-22)16(2-3-16)21-15(23)13-5-9-4-11(17)6-12(18)14(9)20-13/h4-8,20H,2-3H2,1H3,(H,21,23).
What are the key properties of 5-bromo-7-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
5-bromo-7-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide has a molecular weight of 377.22 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 140907594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).