4-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one

C18H21N3O2 — CID 169418395

IUPAC4-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
SMILESCCCn1nc2c(c1C)C(c1ccc3c(c1)CCO3)CC(=O)N2
InChIInChI=1S/C18H21N3O2/c1-3-7-21-11(2)17-14(10-16(22)19-18(17)20-21)12-4-5-15-13(9-12)6-8-23-15/h4-5,9,14H,3,6-8,10H2,1-2H3,(H,19,20,22)
InChIKeyLLKIJMKUXJFRKG-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.01
Rot. Bonds3

About 4-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one

4-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one (PubChem CID 169418395) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
PubChem CID169418395
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name4-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
SMILESCCCn1nc2c(c1C)C(c1ccc3c(c1)CCO3)CC(=O)N2
InChIInChI=1S/C18H21N3O2/c1-3-7-21-11(2)17-14(10-16(22)19-18(17)20-21)12-4-5-15-13(9-12)6-8-23-15/h4-5,9,14H,3,6-8,10H2,1-2H3,(H,19,20,22)
InChIKeyLLKIJMKUXJFRKG-UHFFFAOYSA-N
XLogP3.01
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169411356
(4S)-4-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 136737658
4-(5-chloro-2-pyridinyl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 171388836
6-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-7,9-dihydro-6H-triazolo[4,5-h]quinolin-8-one
CID 169413711
(4R)-3-methyl-2-propyl-4-quinolin-8-yl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 136907532
[4-[(4S)-2-ethyl-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-4-yl]-2,6-dimethylphenyl] acetate
CID 136713782
3-butyl-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazolidin-4-one
CID 3718539
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylsulfanyl-1-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione
CID 23609611
2-[2-methoxy-4-[(4S)-3-methyl-6-oxo-1-propyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]phenoxy]acetamide
CID 136713751
(4R)-2-benzyl-3-methyl-4-(1-methylimidazol-2-yl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 136907611
3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-2,5-dione
CID 82082678
2-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one
CID 3697497

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one (CID 169418395) is 4-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one is CCCn1nc2c(c1C)C(c1ccc3c(c1)CCO3)CC(=O)N2.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
The InChIKey is LLKIJMKUXJFRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-3-7-21-11(2)17-14(10-16(22)19-18(17)20-21)12-4-5-15-13(9-12)6-8-23-15/h4-5,9,14H,3,6-8,10H2,1-2H3,(H,19,20,22).
What are the key properties of 4-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
4-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one has a molecular weight of 311.39 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 169418395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).