6-[[7-chloro-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one

C19H14ClN7O — CID 140912012

IUPAC6-[[7-chloro-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one
SMILESCn1cc(-c2cc(Cl)c3nnn(Cc4ccc5[nH]c(=O)ccc5c4)c3n2)cn1
InChIInChI=1S/C19H14ClN7O/c1-26-10-13(8-21-26)16-7-14(20)18-19(23-16)27(25-24-18)9-11-2-4-15-12(6-11)3-5-17(28)22-15/h2-8,10H,9H2,1H3,(H,22,28)
InChIKeyWEIYRRFEDUFKPE-UHFFFAOYSA-N
MW391.82 g/mol
LogP2.77
Rot. Bonds3

About 6-[[7-chloro-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one

6-[[7-chloro-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one (PubChem CID 140912012) has the molecular formula C19H14ClN7O and a molecular weight of 391.82 g/mol. Its IUPAC name is 6-[[7-chloro-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[[7-chloro-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one
PubChem CID140912012
Molecular FormulaC19H14ClN7O
Molecular Weight391.82 g/mol
Exact Mass391.09
IUPAC Name6-[[7-chloro-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one
SMILESCn1cc(-c2cc(Cl)c3nnn(Cc4ccc5[nH]c(=O)ccc5c4)c3n2)cn1
InChIInChI=1S/C19H14ClN7O/c1-26-10-13(8-21-26)16-7-14(20)18-19(23-16)27(25-24-18)9-11-2-4-15-12(6-11)3-5-17(28)22-15/h2-8,10H,9H2,1H3,(H,22,28)
InChIKeyWEIYRRFEDUFKPE-UHFFFAOYSA-N
XLogP2.77
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.82
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[7-chloro-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-[[7-chloro-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one (CID 140912012) is 6-[[7-chloro-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-[[7-chloro-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-[[7-chloro-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one is Cn1cc(-c2cc(Cl)c3nnn(Cc4ccc5[nH]c(=O)ccc5c4)c3n2)cn1.
What is the InChIKey of 6-[[7-chloro-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one?
The InChIKey is WEIYRRFEDUFKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN7O/c1-26-10-13(8-21-26)16-7-14(20)18-19(23-16)27(25-24-18)9-11-2-4-15-12(6-11)3-5-17(28)22-15/h2-8,10H,9H2,1H3,(H,22,28).
What are the key properties of 6-[[7-chloro-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one?
6-[[7-chloro-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one has a molecular weight of 391.82 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[7-chloro-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 140912012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).