6-ethoxy-3-(6-oxo-3-pyridin-3-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl)-1H-quinolin-2-one

C22H19N5O3 — CID 170510763

IUPAC6-ethoxy-3-(6-oxo-3-pyridin-3-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl)-1H-quinolin-2-one
SMILESCCOc1ccc2[nH]c(=O)c(C3CC(=O)Nc4n[nH]c(-c5cccnc5)c43)cc2c1
InChIInChI=1S/C22H19N5O3/c1-2-30-14-5-6-17-13(8-14)9-16(22(29)24-17)15-10-18(28)25-21-19(15)20(26-27-21)12-4-3-7-23-11-12/h3-9,11,15H,2,10H2,1H3,(H,24,29)(H2,25,26,27,28)
InChIKeyIWXQUERSVOOSTH-UHFFFAOYSA-N
MW401.43 g/mol
LogP3.19
Rot. Bonds4

About 6-ethoxy-3-(6-oxo-3-pyridin-3-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl)-1H-quinolin-2-one

6-ethoxy-3-(6-oxo-3-pyridin-3-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl)-1H-quinolin-2-one (PubChem CID 170510763) has the molecular formula C22H19N5O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is 6-ethoxy-3-(6-oxo-3-pyridin-3-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-ethoxy-3-(6-oxo-3-pyridin-3-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl)-1H-quinolin-2-one
PubChem CID170510763
Molecular FormulaC22H19N5O3
Molecular Weight401.43 g/mol
Exact Mass401.15
IUPAC Name6-ethoxy-3-(6-oxo-3-pyridin-3-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl)-1H-quinolin-2-one
SMILESCCOc1ccc2[nH]c(=O)c(C3CC(=O)Nc4n[nH]c(-c5cccnc5)c43)cc2c1
InChIInChI=1S/C22H19N5O3/c1-2-30-14-5-6-17-13(8-14)9-16(22(29)24-17)15-10-18(28)25-21-19(15)20(26-27-21)12-4-3-7-23-11-12/h3-9,11,15H,2,10H2,1H3,(H,24,29)(H2,25,26,27,28)
InChIKeyIWXQUERSVOOSTH-UHFFFAOYSA-N
XLogP3.19
TPSA112.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-ethoxy-3-(6-oxo-3-pyridin-3-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl)-1H-quinolin-2-one with MolForge

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Related Compounds

3-(4-chlorophenyl)-4-(4-ethoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 135620687
(4R)-3-(4-chlorophenyl)-4-(3-methoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136915567
(4R)-4-(2-chlorophenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 135577812
ethyl 2-[(4R)-4-(6-methoxy-2-oxo-1H-quinolin-3-yl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-1-yl]acetate
CID 136887329
3-[3-(4-methoxyphenyl)-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl]benzoic acid
CID 169416965
3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 1138134
4-(1H-benzimidazol-2-yl)-3-(3,4,5-trimethoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 169416306
(4R)-4-(2-ethoxy-3-methoxyphenyl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136903269
3-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 169418224
(4R)-3-(3-methoxyphenyl)-4-(3-methylimidazo[1,5-a]pyridin-1-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136698041
(4S)-3-methyl-4-(4-propoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136915644
(1R)-1-(3-ethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 2231068

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3-(6-oxo-3-pyridin-3-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl)-1H-quinolin-2-one?
The IUPAC name of 6-ethoxy-3-(6-oxo-3-pyridin-3-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl)-1H-quinolin-2-one (CID 170510763) is 6-ethoxy-3-(6-oxo-3-pyridin-3-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl)-1H-quinolin-2-one.
What is the SMILES notation for 6-ethoxy-3-(6-oxo-3-pyridin-3-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl)-1H-quinolin-2-one?
The canonical SMILES for 6-ethoxy-3-(6-oxo-3-pyridin-3-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl)-1H-quinolin-2-one is CCOc1ccc2[nH]c(=O)c(C3CC(=O)Nc4n[nH]c(-c5cccnc5)c43)cc2c1.
What is the InChIKey of 6-ethoxy-3-(6-oxo-3-pyridin-3-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl)-1H-quinolin-2-one?
The InChIKey is IWXQUERSVOOSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3/c1-2-30-14-5-6-17-13(8-14)9-16(22(29)24-17)15-10-18(28)25-21-19(15)20(26-27-21)12-4-3-7-23-11-12/h3-9,11,15H,2,10H2,1H3,(H,24,29)(H2,25,26,27,28).
What are the key properties of 6-ethoxy-3-(6-oxo-3-pyridin-3-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl)-1H-quinolin-2-one?
6-ethoxy-3-(6-oxo-3-pyridin-3-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl)-1H-quinolin-2-one has a molecular weight of 401.43 g/mol, XLogP of 3.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3-(6-oxo-3-pyridin-3-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl)-1H-quinolin-2-one is sourced from PubChem (CID 170510763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).