3-anilino-1-[(3R)-oxan-3-yl]-5H-pyrazolo[4,3-c]pyridin-4-one

C17H18N4O2 — CID 144712822

IUPAC3-anilino-1-[(3R)-oxan-3-yl]-5H-pyrazolo[4,3-c]pyridin-4-one
SMILESO=c1[nH]ccc2c1c(Nc1ccccc1)nn2[C@@H]1CCCOC1
InChIInChI=1S/C17H18N4O2/c22-17-15-14(8-9-18-17)21(13-7-4-10-23-11-13)20-16(15)19-12-5-2-1-3-6-12/h1-3,5-6,8-9,13H,4,7,10-11H2,(H,18,22)(H,19,20)/t13-/m1/s1
InChIKeyDVYXZOAGHPOLHW-CYBMUJFWSA-N
MW310.36 g/mol
LogP2.82
Rot. Bonds3

About 3-anilino-1-[(3R)-oxan-3-yl]-5H-pyrazolo[4,3-c]pyridin-4-one

3-anilino-1-[(3R)-oxan-3-yl]-5H-pyrazolo[4,3-c]pyridin-4-one (PubChem CID 144712822) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 3-anilino-1-[(3R)-oxan-3-yl]-5H-pyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name3-anilino-1-[(3R)-oxan-3-yl]-5H-pyrazolo[4,3-c]pyridin-4-one
PubChem CID144712822
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name3-anilino-1-[(3R)-oxan-3-yl]-5H-pyrazolo[4,3-c]pyridin-4-one
SMILESO=c1[nH]ccc2c1c(Nc1ccccc1)nn2[C@@H]1CCCOC1
InChIInChI=1S/C17H18N4O2/c22-17-15-14(8-9-18-17)21(13-7-4-10-23-11-13)20-16(15)19-12-5-2-1-3-6-12/h1-3,5-6,8-9,13H,4,7,10-11H2,(H,18,22)(H,19,20)/t13-/m1/s1
InChIKeyDVYXZOAGHPOLHW-CYBMUJFWSA-N
XLogP2.82
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-oxan-3-yl]-3-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137288520
3-[4-(2,2-dimethylpyrrolidin-1-yl)sulfanylanilino]-1-(oxan-3-yl)-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137288673
(3R)-3-(3-anilino-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl)oxane-4-carbonitrile
CID 137298327
3-[3-methyl-4-(pyrrolidine-1-carbonyl)anilino]-1-(oxan-3-yl)-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137288546
N-ethyl-2-methyl-4-[[1-(oxan-3-yl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 137288711
N,2-dimethyl-4-[[1-(oxan-3-yl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 137288685
1-cyclopentyl-3-[4-(2,2,2-trifluoro-1-hydroxyethyl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137145528
3-(4-tert-butylsulfinylanilino)-1-cyclopentyl-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137282199
1-cyclohexyl-3-(4-propan-2-ylsulfinylanilino)-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137281922
1-cyclohexyl-3-[[2-(oxan-4-yl)-1-oxo-3H-isoindol-5-yl]amino]-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137069304
1-cyclohexyl-3-[4-(1,1,1-trifluoro-2-methoxypropan-2-yl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137281997
N-tert-butyl-4-[(1-cycloheptyl-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl)amino]-N-methylbenzenesulfonamide
CID 137160996

Frequently Asked Questions

What is the IUPAC name of 3-anilino-1-[(3R)-oxan-3-yl]-5H-pyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of 3-anilino-1-[(3R)-oxan-3-yl]-5H-pyrazolo[4,3-c]pyridin-4-one (CID 144712822) is 3-anilino-1-[(3R)-oxan-3-yl]-5H-pyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for 3-anilino-1-[(3R)-oxan-3-yl]-5H-pyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for 3-anilino-1-[(3R)-oxan-3-yl]-5H-pyrazolo[4,3-c]pyridin-4-one is O=c1[nH]ccc2c1c(Nc1ccccc1)nn2[C@@H]1CCCOC1.
What is the InChIKey of 3-anilino-1-[(3R)-oxan-3-yl]-5H-pyrazolo[4,3-c]pyridin-4-one?
The InChIKey is DVYXZOAGHPOLHW-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18N4O2/c22-17-15-14(8-9-18-17)21(13-7-4-10-23-11-13)20-16(15)19-12-5-2-1-3-6-12/h1-3,5-6,8-9,13H,4,7,10-11H2,(H,18,22)(H,19,20)/t13-/m1/s1.
What are the key properties of 3-anilino-1-[(3R)-oxan-3-yl]-5H-pyrazolo[4,3-c]pyridin-4-one?
3-anilino-1-[(3R)-oxan-3-yl]-5H-pyrazolo[4,3-c]pyridin-4-one has a molecular weight of 310.36 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-1-[(3R)-oxan-3-yl]-5H-pyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 144712822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).