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

C16H26N4O — CID 137241535

IUPAC(4R)-4-(4-aminocyclohexyl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
SMILESCCCn1nc2c(c1C)[C@@H](C1CCC(N)CC1)CC(=O)N2
InChIInChI=1S/C16H26N4O/c1-3-8-20-10(2)15-13(9-14(21)18-16(15)19-20)11-4-6-12(17)7-5-11/h11-13H,3-9,17H2,1-2H3,(H,18,19,21)/t11?,12?,13-/m1/s1
InChIKeyWRLBSHBGRVKPPU-WXRRBKDZSA-N
MW290.41 g/mol
LogP2.54
Rot. Bonds3

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

(4R)-4-(4-aminocyclohexyl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one (PubChem CID 137241535) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is (4R)-4-(4-aminocyclohexyl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-4-(4-aminocyclohexyl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
PubChem CID137241535
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name(4R)-4-(4-aminocyclohexyl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
SMILESCCCn1nc2c(c1C)[C@@H](C1CCC(N)CC1)CC(=O)N2
InChIInChI=1S/C16H26N4O/c1-3-8-20-10(2)15-13(9-14(21)18-16(15)19-20)11-4-6-12(17)7-5-11/h11-13H,3-9,17H2,1-2H3,(H,18,19,21)/t11?,12?,13-/m1/s1
InChIKeyWRLBSHBGRVKPPU-WXRRBKDZSA-N
XLogP2.54
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R)-4-(4-aminocyclohexyl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one with MolForge

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Related Compounds

(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
(4R)-3-methyl-2-propyl-4-quinolin-8-yl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 136907532
4-(5-chloro-2-pyridinyl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 171388836
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
4-(4-aminocyclohexyl)-3-cyclobutyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one;hydrochloride
CID 154888893
(4R)-4-cyclohexyl-1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826185
[(3R)-3-aminopyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride
CID 119413051
[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-(3,5-dimethyl-1-propylpyrazol-4-yl)piperidine
CID 105478412
(3-aminopiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone
CID 119381314
(4R)-2-benzyl-3-methyl-4-(1-methylimidazol-2-yl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 136907611
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone
CID 120814052

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-aminocyclohexyl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of (4R)-4-(4-aminocyclohexyl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one (CID 137241535) is (4R)-4-(4-aminocyclohexyl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-4-(4-aminocyclohexyl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for (4R)-4-(4-aminocyclohexyl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one is CCCn1nc2c(c1C)[C@@H](C1CCC(N)CC1)CC(=O)N2.
What is the InChIKey of (4R)-4-(4-aminocyclohexyl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
The InChIKey is WRLBSHBGRVKPPU-WXRRBKDZSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-8-20-10(2)15-13(9-14(21)18-16(15)19-20)11-4-6-12(17)7-5-11/h11-13H,3-9,17H2,1-2H3,(H,18,19,21)/t11?,12?,13-/m1/s1.
What are the key properties of (4R)-4-(4-aminocyclohexyl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
(4R)-4-(4-aminocyclohexyl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one has a molecular weight of 290.41 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-aminocyclohexyl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 137241535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).