1-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]propan-2-one

C21H17N7O — CID 58514893

IUPAC1-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]propan-2-one
SMILESCC(=O)Cn1cc(-c2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1
InChIInChI=1S/C21H17N7O/c1-14(29)11-27-13-17(10-23-27)19-6-7-20-21(24-19)28(26-25-20)12-15-4-5-18-16(9-15)3-2-8-22-18/h2-10,13H,11-12H2,1H3
InChIKeyPGSVGLUYRICHNN-UHFFFAOYSA-N
MW383.42 g/mol
LogP2.88
Rot. Bonds5

About 1-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]propan-2-one

1-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]propan-2-one (PubChem CID 58514893) has the molecular formula C21H17N7O and a molecular weight of 383.42 g/mol. Its IUPAC name is 1-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]propan-2-one
PubChem CID58514893
Molecular FormulaC21H17N7O
Molecular Weight383.42 g/mol
Exact Mass383.15
IUPAC Name1-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]propan-2-one
SMILESCC(=O)Cn1cc(-c2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1
InChIInChI=1S/C21H17N7O/c1-14(29)11-27-13-17(10-23-27)19-6-7-20-21(24-19)28(26-25-20)12-15-4-5-18-16(9-15)3-2-8-22-18/h2-10,13H,11-12H2,1H3
InChIKeyPGSVGLUYRICHNN-UHFFFAOYSA-N
XLogP2.88
TPSA91.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]propan-2-one with MolForge

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Related Compounds

1-pyrrolidin-1-yl-2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethanone
CID 58514905
1-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]propan-2-ol
CID 53262064
N-methyl-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide
CID 54670238
methanesulfonic acid;2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 24852079
2-chloro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzoic acid
CID 66994823
6-[[5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;hydrochloride
CID 66995540
6-[[5-(3-fluorophenyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 54670606
6-[[5-(2-chloro-4-pyridinyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 58514686
2-fluoro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzoate
CID 131740796
6-[[5-[3-(methylsulfonylmethyl)phenyl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 149255111
3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridine-5-carboxamide
CID 151275107
6-[[5-(5-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 58514910

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]propan-2-one?
The IUPAC name of 1-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]propan-2-one (CID 58514893) is 1-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]propan-2-one.
What is the SMILES notation for 1-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]propan-2-one?
The canonical SMILES for 1-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]propan-2-one is CC(=O)Cn1cc(-c2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1.
What is the InChIKey of 1-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]propan-2-one?
The InChIKey is PGSVGLUYRICHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N7O/c1-14(29)11-27-13-17(10-23-27)19-6-7-20-21(24-19)28(26-25-20)12-15-4-5-18-16(9-15)3-2-8-22-18/h2-10,13H,11-12H2,1H3.
What are the key properties of 1-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]propan-2-one?
1-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]propan-2-one has a molecular weight of 383.42 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]propan-2-one is sourced from PubChem (CID 58514893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).