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

C21H19N7O — CID 140911997

IUPAC6-[[5-(1-propylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one
SMILESCCCn1cc(-c2ccc3nnn(Cc4ccc5[nH]c(=O)ccc5c4)c3n2)cn1
InChIInChI=1S/C21H19N7O/c1-2-9-27-13-16(11-22-27)18-6-7-19-21(24-18)28(26-25-19)12-14-3-5-17-15(10-14)4-8-20(29)23-17/h3-8,10-11,13H,2,9,12H2,1H3,(H,23,29)
InChIKeySOOKYRBRVICTLK-UHFFFAOYSA-N
MW385.43 g/mol
LogP2.99
Rot. Bonds5

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

6-[[5-(1-propylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one (PubChem CID 140911997) has the molecular formula C21H19N7O and a molecular weight of 385.43 g/mol. Its IUPAC name is 6-[[5-(1-propylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[[5-(1-propylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one
PubChem CID140911997
Molecular FormulaC21H19N7O
Molecular Weight385.43 g/mol
Exact Mass385.17
IUPAC Name6-[[5-(1-propylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one
SMILESCCCn1cc(-c2ccc3nnn(Cc4ccc5[nH]c(=O)ccc5c4)c3n2)cn1
InChIInChI=1S/C21H19N7O/c1-2-9-27-13-16(11-22-27)18-6-7-19-21(24-18)28(26-25-19)12-14-3-5-17-15(10-14)4-8-20(29)23-17/h3-8,10-11,13H,2,9,12H2,1H3,(H,23,29)
InChIKeySOOKYRBRVICTLK-UHFFFAOYSA-N
XLogP2.99
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-(1-propylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-[[5-(1-propylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one (CID 140911997) is 6-[[5-(1-propylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-[[5-(1-propylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-[[5-(1-propylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one is CCCn1cc(-c2ccc3nnn(Cc4ccc5[nH]c(=O)ccc5c4)c3n2)cn1.
What is the InChIKey of 6-[[5-(1-propylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one?
The InChIKey is SOOKYRBRVICTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O/c1-2-9-27-13-16(11-22-27)18-6-7-19-21(24-18)28(26-25-19)12-14-3-5-17-15(10-14)4-8-20(29)23-17/h3-8,10-11,13H,2,9,12H2,1H3,(H,23,29).
What are the key properties of 6-[[5-(1-propylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one?
6-[[5-(1-propylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one has a molecular weight of 385.43 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(1-propylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 140911997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).