4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-3-(furan-2-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

C16H17N5O2 — CID 169419074

IUPAC4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-3-(furan-2-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESCCc1nc(C2CC(=O)Nc3n[nH]c(-c4ccco4)c32)c(C)[nH]1
InChIInChI=1S/C16H17N5O2/c1-3-11-17-8(2)14(18-11)9-7-12(22)19-16-13(9)15(20-21-16)10-5-4-6-23-10/h4-6,9H,3,7H2,1-2H3,(H,17,18)(H2,19,20,21,22)
InChIKeyCALZUFNLZHIJCW-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.74
Rot. Bonds3

About 4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-3-(furan-2-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-3-(furan-2-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (PubChem CID 169419074) has the molecular formula C16H17N5O2 and a molecular weight of 311.34 g/mol. Its IUPAC name is 4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-3-(furan-2-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-3-(furan-2-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
PubChem CID169419074
Molecular FormulaC16H17N5O2
Molecular Weight311.34 g/mol
Exact Mass311.14
IUPAC Name4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-3-(furan-2-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESCCc1nc(C2CC(=O)Nc3n[nH]c(-c4ccco4)c32)c(C)[nH]1
InChIInChI=1S/C16H17N5O2/c1-3-11-17-8(2)14(18-11)9-7-12(22)19-16-13(9)15(20-21-16)10-5-4-6-23-10/h4-6,9H,3,7H2,1-2H3,(H,17,18)(H2,19,20,21,22)
InChIKeyCALZUFNLZHIJCW-UHFFFAOYSA-N
XLogP2.74
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(furan-2-yl)-4-(3-methylimidazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 169417443
(13S)-13-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4,6-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8-tetraen-11-one
CID 136810313
3-amino-4-(furan-2-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 137273151
2-ethyl-4-(furan-2-yl)-1H-pyrimidin-6-one
CID 136692914
(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
3-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 169418224
(4S)-4-(4-tert-butylphenyl)-3-(furan-2-yl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
CID 51611426
(4S)-3-methyl-4-(4-propoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136915644
3-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 169412310
(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
3,4-bis(4-chlorophenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 135621383

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-3-(furan-2-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 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) is 4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-3-(furan-2-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-3-(furan-2-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-3-(furan-2-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is CCc1nc(C2CC(=O)Nc3n[nH]c(-c4ccco4)c32)c(C)[nH]1.
What is the InChIKey of 4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-3-(furan-2-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The InChIKey is CALZUFNLZHIJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-3-11-17-8(2)14(18-11)9-7-12(22)19-16-13(9)15(20-21-16)10-5-4-6-23-10/h4-6,9H,3,7H2,1-2H3,(H,17,18)(H2,19,20,21,22).
What are the key properties of 4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-3-(furan-2-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-3-(furan-2-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one has a molecular weight of 311.34 g/mol, XLogP of 2.74, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-3-(furan-2-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 169419074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).