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

C24H22N8O — CID 58514905

IUPAC1-pyrrolidin-1-yl-2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethanone
SMILESO=C(Cn1cc(-c2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1)N1CCCC1
InChIInChI=1S/C24H22N8O/c33-23(30-10-1-2-11-30)16-31-15-19(13-26-31)21-7-8-22-24(27-21)32(29-28-22)14-17-5-6-20-18(12-17)4-3-9-25-20/h3-9,12-13,15H,1-2,10-11,14,16H2
InChIKeyORMPCQCCZCCYRS-UHFFFAOYSA-N
MW438.50 g/mol
LogP2.91
Rot. Bonds5

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

1-pyrrolidin-1-yl-2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethanone (PubChem CID 58514905) has the molecular formula C24H22N8O and a molecular weight of 438.50 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethanone
PubChem CID58514905
Molecular FormulaC24H22N8O
Molecular Weight438.50 g/mol
Exact Mass438.19
IUPAC Name1-pyrrolidin-1-yl-2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethanone
SMILESO=C(Cn1cc(-c2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1)N1CCCC1
InChIInChI=1S/C24H22N8O/c33-23(30-10-1-2-11-30)16-31-15-19(13-26-31)21-7-8-22-24(27-21)32(29-28-22)14-17-5-6-20-18(12-17)4-3-9-25-20/h3-9,12-13,15H,1-2,10-11,14,16H2
InChIKeyORMPCQCCZCCYRS-UHFFFAOYSA-N
XLogP2.91
TPSA94.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethanone?
The IUPAC name of 1-pyrrolidin-1-yl-2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethanone (CID 58514905) is 1-pyrrolidin-1-yl-2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-pyrrolidin-1-yl-2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethanone?
The canonical SMILES for 1-pyrrolidin-1-yl-2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethanone is O=C(Cn1cc(-c2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethanone?
The InChIKey is ORMPCQCCZCCYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N8O/c33-23(30-10-1-2-11-30)16-31-15-19(13-26-31)21-7-8-22-24(27-21)32(29-28-22)14-17-5-6-20-18(12-17)4-3-9-25-20/h3-9,12-13,15H,1-2,10-11,14,16H2.
What are the key properties of 1-pyrrolidin-1-yl-2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethanone?
1-pyrrolidin-1-yl-2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethanone has a molecular weight of 438.50 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethanone is sourced from PubChem (CID 58514905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).