3-amino-4-(furan-2-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

C10H10N4O2 — CID 137273151

IUPAC3-amino-4-(furan-2-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESNc1[nH]nc2c1C(c1ccco1)CC(=O)N2
InChIInChI=1S/C10H10N4O2/c11-9-8-5(6-2-1-3-16-6)4-7(15)12-10(8)14-13-9/h1-3,5H,4H2,(H4,11,12,13,14,15)
InChIKeyXKVIKICRDXKABD-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.06
Rot. Bonds1

About 3-amino-4-(furan-2-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

3-amino-4-(furan-2-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (PubChem CID 137273151) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 3-amino-4-(furan-2-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-amino-4-(furan-2-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
PubChem CID137273151
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name3-amino-4-(furan-2-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESNc1[nH]nc2c1C(c1ccco1)CC(=O)N2
InChIInChI=1S/C10H10N4O2/c11-9-8-5(6-2-1-3-16-6)4-7(15)12-10(8)14-13-9/h1-3,5H,4H2,(H4,11,12,13,14,15)
InChIKeyXKVIKICRDXKABD-UHFFFAOYSA-N
XLogP1.06
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-(2-chloro-3,4-dimethoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 135421243
(4S)-4-(furan-2-yl)-2-oxo-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile
CID 7128627
3-(furan-2-yl)-4-(3-methylimidazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 169417443
4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-3-(furan-2-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 169419074
(4R)-4-(furan-2-yl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 7248702
7-(furan-2-yl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
CID 52996062
2-(3-chloro-4-methoxyphenyl)-9-(furan-2-yl)-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one
CID 135636461
(4S,7R)-4-(4-chlorophenyl)-7-(furan-2-yl)-3-methyl-2,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinolin-5-one
CID 135913484
4-(4-chlorophenyl)-7-(furan-2-yl)-3-methyl-2,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinolin-5-one
CID 135646151
4-(furan-2-yl)-5-methylpyrrolidin-2-one
CID 66108911
(4R)-4-(2-chlorophenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 135577812
4-(4-bromophenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 135621384

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(furan-2-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 3-amino-4-(furan-2-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (CID 137273151) is 3-amino-4-(furan-2-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 3-amino-4-(furan-2-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 3-amino-4-(furan-2-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is Nc1[nH]nc2c1C(c1ccco1)CC(=O)N2.
What is the InChIKey of 3-amino-4-(furan-2-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The InChIKey is XKVIKICRDXKABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c11-9-8-5(6-2-1-3-16-6)4-7(15)12-10(8)14-13-9/h1-3,5H,4H2,(H4,11,12,13,14,15).
What are the key properties of 3-amino-4-(furan-2-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
3-amino-4-(furan-2-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one has a molecular weight of 218.22 g/mol, XLogP of 1.06, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(furan-2-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 137273151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).