5-[[1-(4-cyanooxan-3-yl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-2-hydroxybenzamide

C19H18N6O4 — CID 136639020

IUPAC5-[[1-(4-cyanooxan-3-yl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-2-hydroxybenzamide
SMILESN#CC1CCOCC1n1nc(Nc2ccc(O)c(C(N)=O)c2)c2c(=O)[nH]ccc21
InChIInChI=1S/C19H18N6O4/c20-8-10-4-6-29-9-14(10)25-13-3-5-22-19(28)16(13)18(24-25)23-11-1-2-15(26)12(7-11)17(21)27/h1-3,5,7,10,14,26H,4,6,9H2,(H2,21,27)(H,22,28)(H,23,24)
InChIKeyWDJGAAFHVDDMLB-UHFFFAOYSA-N
MW394.39 g/mol
LogP1.37
Rot. Bonds4

About 5-[[1-(4-cyanooxan-3-yl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-2-hydroxybenzamide

5-[[1-(4-cyanooxan-3-yl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-2-hydroxybenzamide (PubChem CID 136639020) has the molecular formula C19H18N6O4 and a molecular weight of 394.39 g/mol. Its IUPAC name is 5-[[1-(4-cyanooxan-3-yl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-[[1-(4-cyanooxan-3-yl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-2-hydroxybenzamide
PubChem CID136639020
Molecular FormulaC19H18N6O4
Molecular Weight394.39 g/mol
Exact Mass394.14
IUPAC Name5-[[1-(4-cyanooxan-3-yl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-2-hydroxybenzamide
SMILESN#CC1CCOCC1n1nc(Nc2ccc(O)c(C(N)=O)c2)c2c(=O)[nH]ccc21
InChIInChI=1S/C19H18N6O4/c20-8-10-4-6-29-9-14(10)25-13-3-5-22-19(28)16(13)18(24-25)23-11-1-2-15(26)12(7-11)17(21)27/h1-3,5,7,10,14,26H,4,6,9H2,(H2,21,27)(H,22,28)(H,23,24)
InChIKeyWDJGAAFHVDDMLB-UHFFFAOYSA-N
XLogP1.37
TPSA159.05 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 51.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-(3-anilino-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl)oxane-4-carbonitrile
CID 137298327
(3R,4S)-3-[3-(4-fluoro-3-methoxyanilino)-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]oxane-4-carbonitrile
CID 137169235
(3R)-3-[3-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]oxane-4-carbonitrile
CID 137298368
(3R)-3-[3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]oxane-4-carbonitrile
CID 137298380
(3R)-3-[3-[(2-methyl-1,1-dioxo-3H-1,2-benzothiazol-5-yl)amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]oxane-4-carbonitrile
CID 137298323
(3R)-3-[4-oxo-3-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)anilino]-5H-pyrazolo[4,3-c]pyridin-1-yl]oxane-4-carbonitrile
CID 137298354
2-[5-[[1-[(3R,4S)-4-cyanooxan-3-yl]-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-1,1-dioxo-3H-1,2-benzothiazol-2-yl]acetic acid
CID 137169229
3-[4-oxo-3-[4-(1,1,1-trifluoro-2-methoxypropan-2-yl)anilino]-5H-pyrazolo[4,3-c]pyridin-1-yl]oxane-4-carbonitrile
CID 136639280
(3R,4S)-3-[4-oxo-3-[4-[1-(triazol-2-yl)ethyl]anilino]-5H-pyrazolo[4,3-c]pyridin-1-yl]oxane-4-carbonitrile
CID 137091259
(3R,4S)-3-[3-[4-(2-methylazetidin-1-yl)sulfonylanilino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]oxane-4-carbonitrile
CID 136950511
(3R)-3-[3-[4-[1-(cyclopropylamino)-2,2,2-trifluoroethyl]anilino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]oxane-4-carbonitrile
CID 137298377
(3R,4S)-3-[3-[4-[1-(cyclopropylamino)-2,2,2-trifluoroethyl]anilino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]oxane-4-carbonitrile
CID 136950512

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(4-cyanooxan-3-yl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-2-hydroxybenzamide?
The IUPAC name of 5-[[1-(4-cyanooxan-3-yl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-2-hydroxybenzamide (CID 136639020) is 5-[[1-(4-cyanooxan-3-yl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-2-hydroxybenzamide.
What is the SMILES notation for 5-[[1-(4-cyanooxan-3-yl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-2-hydroxybenzamide?
The canonical SMILES for 5-[[1-(4-cyanooxan-3-yl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-2-hydroxybenzamide is N#CC1CCOCC1n1nc(Nc2ccc(O)c(C(N)=O)c2)c2c(=O)[nH]ccc21.
What is the InChIKey of 5-[[1-(4-cyanooxan-3-yl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-2-hydroxybenzamide?
The InChIKey is WDJGAAFHVDDMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O4/c20-8-10-4-6-29-9-14(10)25-13-3-5-22-19(28)16(13)18(24-25)23-11-1-2-15(26)12(7-11)17(21)27/h1-3,5,7,10,14,26H,4,6,9H2,(H2,21,27)(H,22,28)(H,23,24).
What are the key properties of 5-[[1-(4-cyanooxan-3-yl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-2-hydroxybenzamide?
5-[[1-(4-cyanooxan-3-yl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-2-hydroxybenzamide has a molecular weight of 394.39 g/mol, XLogP of 1.37, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(4-cyanooxan-3-yl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-2-hydroxybenzamide is sourced from PubChem (CID 136639020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).