1-butyl-3-methyl-4-piperidin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C16H26N4O — CID 135987021

IUPAC1-butyl-3-methyl-4-piperidin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCCCn1nc(C)c2c1NC(=O)CC2C1CCNCC1
InChIInChI=1S/C16H26N4O/c1-3-4-9-20-16-15(11(2)19-20)13(10-14(21)18-16)12-5-7-17-8-6-12/h12-13,17H,3-10H2,1-2H3,(H,18,21)
InChIKeyPPZUTPUCFZYOGR-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.42
Rot. Bonds4

About 1-butyl-3-methyl-4-piperidin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

1-butyl-3-methyl-4-piperidin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135987021) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-butyl-3-methyl-4-piperidin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-butyl-3-methyl-4-piperidin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135987021
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-butyl-3-methyl-4-piperidin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCCCn1nc(C)c2c1NC(=O)CC2C1CCNCC1
InChIInChI=1S/C16H26N4O/c1-3-4-9-20-16-15(11(2)19-20)13(10-14(21)18-16)12-5-7-17-8-6-12/h12-13,17H,3-10H2,1-2H3,(H,18,21)
InChIKeyPPZUTPUCFZYOGR-UHFFFAOYSA-N
XLogP2.42
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-butyl-3-methyl-4-piperidin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one with MolForge

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Related Compounds

1-tert-butyl-4-(1,5-dimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135632399
1-tert-butyl-4-(1,3-dimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135632575
4-(1,5-dimethyl-1H-pyrazol-4-yl)-1-isopropyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one
CID 135632765
4-(1,3-dimethyl-1H-pyrazol-4-yl)-1-methyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135632837
4-(1,3-dimethyl-1H-pyrazol-4-yl)-1-isopropyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one
CID 135632978
(2S)-2-amino-2-cyclohexyl-N-(3,4-diethyl-1-methyl-1H-pyrazol-5-yl)acetamide hydrochloride
CID 132418130
(4S)-1-tert-butyl-4-(1,3-dimethylpyrazol-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136012252
trans-(1S,3R)-1-N-(4,5-diethyl-2-methylpyrazol-3-yl)-3-N-ethyl-1,2,2-trimethylcyclopentane-1,3-dicarboxamide
CID 164639492
3-Piperidin-4-yl-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136953074
N-[5-(3,3-difluorocyclobutyl)-2-methyl-4-(1-methylpiperidin-4-yl)pyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide
CID 172633799
N-[3-cyclohexyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3,3-dimethylbutanamide
CID 177339414
N-[3-cyclobutyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3,3-dimethylbutanamide
CID 177339439

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methyl-4-piperidin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1-butyl-3-methyl-4-piperidin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135987021) is 1-butyl-3-methyl-4-piperidin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1-butyl-3-methyl-4-piperidin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1-butyl-3-methyl-4-piperidin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is CCCCn1nc(C)c2c1NC(=O)CC2C1CCNCC1.
What is the InChIKey of 1-butyl-3-methyl-4-piperidin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is PPZUTPUCFZYOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-4-9-20-16-15(11(2)19-20)13(10-14(21)18-16)12-5-7-17-8-6-12/h12-13,17H,3-10H2,1-2H3,(H,18,21).
What are the key properties of 1-butyl-3-methyl-4-piperidin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
1-butyl-3-methyl-4-piperidin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 290.41 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methyl-4-piperidin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135987021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).