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

C16H14ClFN4O — CID 118425324

IUPAC5-chloro-4-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
SMILESCn1cc(C2(NC(=O)c3cc4c(F)c(Cl)ccc4[nH]3)CC2)cn1
InChIInChI=1S/C16H14ClFN4O/c1-22-8-9(7-19-22)16(4-5-16)21-15(23)13-6-10-12(20-13)3-2-11(17)14(10)18/h2-3,6-8,20H,4-5H2,1H3,(H,21,23)
InChIKeyIDPCFWSLDGMVSC-UHFFFAOYSA-N
MW332.77 g/mol
LogP3.11
Rot. Bonds3

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

5-chloro-4-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide (PubChem CID 118425324) has the molecular formula C16H14ClFN4O and a molecular weight of 332.77 g/mol. Its IUPAC name is 5-chloro-4-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-4-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
PubChem CID118425324
Molecular FormulaC16H14ClFN4O
Molecular Weight332.77 g/mol
Exact Mass332.08
IUPAC Name5-chloro-4-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
SMILESCn1cc(C2(NC(=O)c3cc4c(F)c(Cl)ccc4[nH]3)CC2)cn1
InChIInChI=1S/C16H14ClFN4O/c1-22-8-9(7-19-22)16(4-5-16)21-15(23)13-6-10-12(20-13)3-2-11(17)14(10)18/h2-3,6-8,20H,4-5H2,1H3,(H,21,23)
InChIKeyIDPCFWSLDGMVSC-UHFFFAOYSA-N
XLogP3.11
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.77
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-4-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide (CID 118425324) is 5-chloro-4-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-4-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-4-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide is Cn1cc(C2(NC(=O)c3cc4c(F)c(Cl)ccc4[nH]3)CC2)cn1.
What is the InChIKey of 5-chloro-4-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
The InChIKey is IDPCFWSLDGMVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN4O/c1-22-8-9(7-19-22)16(4-5-16)21-15(23)13-6-10-12(20-13)3-2-11(17)14(10)18/h2-3,6-8,20H,4-5H2,1H3,(H,21,23).
What are the key properties of 5-chloro-4-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
5-chloro-4-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide has a molecular weight of 332.77 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 118425324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).