6-bromo-N-(5,6-difluoro-1H-indol-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide

C16H9BrF2N4O — CID 170653128

IUPAC6-bromo-N-(5,6-difluoro-1H-indol-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide
SMILESO=C(Nc1c[nH]c2cc(F)c(F)cc12)c1cc2ccc(Br)cn2n1
InChIInChI=1S/C16H9BrF2N4O/c17-8-1-2-9-3-14(22-23(9)7-8)16(24)21-15-6-20-13-5-12(19)11(18)4-10(13)15/h1-7,20H,(H,21,24)
InChIKeyQHAIQFSIXJSZNR-UHFFFAOYSA-N
MW391.18 g/mol
LogP4.11
Rot. Bonds2

About 6-bromo-N-(5,6-difluoro-1H-indol-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide

6-bromo-N-(5,6-difluoro-1H-indol-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide (PubChem CID 170653128) has the molecular formula C16H9BrF2N4O and a molecular weight of 391.18 g/mol. Its IUPAC name is 6-bromo-N-(5,6-difluoro-1H-indol-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(5,6-difluoro-1H-indol-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide
PubChem CID170653128
Molecular FormulaC16H9BrF2N4O
Molecular Weight391.18 g/mol
Exact Mass389.99
IUPAC Name6-bromo-N-(5,6-difluoro-1H-indol-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide
SMILESO=C(Nc1c[nH]c2cc(F)c(F)cc12)c1cc2ccc(Br)cn2n1
InChIInChI=1S/C16H9BrF2N4O/c17-8-1-2-9-3-14(22-23(9)7-8)16(24)21-15-6-20-13-5-12(19)11(18)4-10(13)15/h1-7,20H,(H,21,24)
InChIKeyQHAIQFSIXJSZNR-UHFFFAOYSA-N
XLogP4.11
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.18
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-Fluoro-5-[[3-[(1E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 9934283
Ddr1-IN-4
CID 130301864
1-(4-fluoro-1H-indol-3-yl)-2-[4-(1H-pyrazole-3-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 506360
(3-Bromopyrazolo[1,5-a]pyridin-2-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
CID 57391358
N-(4-bromophenyl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 16193919
N-(pyridin-2-ylmethyl)-1H-indazole-3-carboxamide
CID 2999812
N-(1-benzylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 71259797
5-bromo-2-fluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]benzamide
CID 72704299
4-bromo-2-fluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]benzamide
CID 72704300
US10889564, Example 37
CID 129104746
2-ethyl-N-[4-fluoro-2-methyl-5-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide
CID 9891972
5-(2-fluoro-3-pyridinyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide
CID 162670206

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(5,6-difluoro-1H-indol-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-(5,6-difluoro-1H-indol-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide (CID 170653128) is 6-bromo-N-(5,6-difluoro-1H-indol-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(5,6-difluoro-1H-indol-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(5,6-difluoro-1H-indol-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide is O=C(Nc1c[nH]c2cc(F)c(F)cc12)c1cc2ccc(Br)cn2n1.
What is the InChIKey of 6-bromo-N-(5,6-difluoro-1H-indol-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide?
The InChIKey is QHAIQFSIXJSZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrF2N4O/c17-8-1-2-9-3-14(22-23(9)7-8)16(24)21-15-6-20-13-5-12(19)11(18)4-10(13)15/h1-7,20H,(H,21,24).
What are the key properties of 6-bromo-N-(5,6-difluoro-1H-indol-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide?
6-bromo-N-(5,6-difluoro-1H-indol-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide has a molecular weight of 391.18 g/mol, XLogP of 4.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(5,6-difluoro-1H-indol-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 170653128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).