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

C21H19N7O2 — CID 140911995

IUPAC6-[[5-[1-(2-methoxyethyl)pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one
SMILESCOCCn1cc(-c2ccc3nnn(Cc4ccc5[nH]c(=O)ccc5c4)c3n2)cn1
InChIInChI=1S/C21H19N7O2/c1-30-9-8-27-13-16(11-22-27)18-5-6-19-21(24-18)28(26-25-19)12-14-2-4-17-15(10-14)3-7-20(29)23-17/h2-7,10-11,13H,8-9,12H2,1H3,(H,23,29)
InChIKeyNOAHHUQHQHKBFD-UHFFFAOYSA-N
MW401.43 g/mol
LogP2.23
Rot. Bonds6

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

6-[[5-[1-(2-methoxyethyl)pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one (PubChem CID 140911995) has the molecular formula C21H19N7O2 and a molecular weight of 401.43 g/mol. Its IUPAC name is 6-[[5-[1-(2-methoxyethyl)pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[[5-[1-(2-methoxyethyl)pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one
PubChem CID140911995
Molecular FormulaC21H19N7O2
Molecular Weight401.43 g/mol
Exact Mass401.16
IUPAC Name6-[[5-[1-(2-methoxyethyl)pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one
SMILESCOCCn1cc(-c2ccc3nnn(Cc4ccc5[nH]c(=O)ccc5c4)c3n2)cn1
InChIInChI=1S/C21H19N7O2/c1-30-9-8-27-13-16(11-22-27)18-5-6-19-21(24-18)28(26-25-19)12-14-2-4-17-15(10-14)3-7-20(29)23-17/h2-7,10-11,13H,8-9,12H2,1H3,(H,23,29)
InChIKeyNOAHHUQHQHKBFD-UHFFFAOYSA-N
XLogP2.23
TPSA103.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-[1-(2-methoxyethyl)pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-[[5-[1-(2-methoxyethyl)pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one (CID 140911995) is 6-[[5-[1-(2-methoxyethyl)pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-[[5-[1-(2-methoxyethyl)pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-[[5-[1-(2-methoxyethyl)pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one is COCCn1cc(-c2ccc3nnn(Cc4ccc5[nH]c(=O)ccc5c4)c3n2)cn1.
What is the InChIKey of 6-[[5-[1-(2-methoxyethyl)pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one?
The InChIKey is NOAHHUQHQHKBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O2/c1-30-9-8-27-13-16(11-22-27)18-5-6-19-21(24-18)28(26-25-19)12-14-2-4-17-15(10-14)3-7-20(29)23-17/h2-7,10-11,13H,8-9,12H2,1H3,(H,23,29).
What are the key properties of 6-[[5-[1-(2-methoxyethyl)pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one?
6-[[5-[1-(2-methoxyethyl)pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one has a molecular weight of 401.43 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-[1-(2-methoxyethyl)pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 140911995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).