6-bromo-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-fluoro-1H-indazole-3-carboxamide

C19H12BrFN6O — CID 71267319

IUPAC6-bromo-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-fluoro-1H-indazole-3-carboxamide
SMILESN#Cc1cccc(Cn2cc(NC(=O)c3n[nH]c4cc(Br)c(F)cc34)cn2)c1
InChIInChI=1S/C19H12BrFN6O/c20-15-6-17-14(5-16(15)21)18(26-25-17)19(28)24-13-8-23-27(10-13)9-12-3-1-2-11(4-12)7-22/h1-6,8,10H,9H2,(H,24,28)(H,25,26)
InChIKeyFMQKGKUSLPBKGE-UHFFFAOYSA-N
MW439.25 g/mol
LogP3.83
Rot. Bonds4

About 6-bromo-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-fluoro-1H-indazole-3-carboxamide

6-bromo-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-fluoro-1H-indazole-3-carboxamide (PubChem CID 71267319) has the molecular formula C19H12BrFN6O and a molecular weight of 439.25 g/mol. Its IUPAC name is 6-bromo-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-fluoro-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-fluoro-1H-indazole-3-carboxamide
PubChem CID71267319
Molecular FormulaC19H12BrFN6O
Molecular Weight439.25 g/mol
Exact Mass438.02
IUPAC Name6-bromo-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-fluoro-1H-indazole-3-carboxamide
SMILESN#Cc1cccc(Cn2cc(NC(=O)c3n[nH]c4cc(Br)c(F)cc34)cn2)c1
InChIInChI=1S/C19H12BrFN6O/c20-15-6-17-14(5-16(15)21)18(26-25-17)19(28)24-13-8-23-27(10-13)9-12-3-1-2-11(4-12)7-22/h1-6,8,10H,9H2,(H,24,28)(H,25,26)
InChIKeyFMQKGKUSLPBKGE-UHFFFAOYSA-N
XLogP3.83
TPSA99.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.25
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-fluoro-1H-indazole-3-carboxamide?
The IUPAC name of 6-bromo-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-fluoro-1H-indazole-3-carboxamide (CID 71267319) is 6-bromo-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-fluoro-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-fluoro-1H-indazole-3-carboxamide?
The canonical SMILES for 6-bromo-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-fluoro-1H-indazole-3-carboxamide is N#Cc1cccc(Cn2cc(NC(=O)c3n[nH]c4cc(Br)c(F)cc34)cn2)c1.
What is the InChIKey of 6-bromo-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-fluoro-1H-indazole-3-carboxamide?
The InChIKey is FMQKGKUSLPBKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrFN6O/c20-15-6-17-14(5-16(15)21)18(26-25-17)19(28)24-13-8-23-27(10-13)9-12-3-1-2-11(4-12)7-22/h1-6,8,10H,9H2,(H,24,28)(H,25,26).
What are the key properties of 6-bromo-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-fluoro-1H-indazole-3-carboxamide?
6-bromo-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-fluoro-1H-indazole-3-carboxamide has a molecular weight of 439.25 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-fluoro-1H-indazole-3-carboxamide is sourced from PubChem (CID 71267319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).