1-tert-butyl-3,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C12H19N3O — CID 155424486

IUPAC1-tert-butyl-3,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(C(C)(C)C)c2c1C(C)CC(=O)N2
InChIInChI=1S/C12H19N3O/c1-7-6-9(16)13-11-10(7)8(2)14-15(11)12(3,4)5/h7H,6H2,1-5H3,(H,13,16)
InChIKeyKOGSWJNEXDIRTI-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.39
Rot. Bonds

About 1-tert-butyl-3,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

1-tert-butyl-3,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 155424486) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-tert-butyl-3,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-tert-butyl-3,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID155424486
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-tert-butyl-3,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(C(C)(C)C)c2c1C(C)CC(=O)N2
InChIInChI=1S/C12H19N3O/c1-7-6-9(16)13-11-10(7)8(2)14-15(11)12(3,4)5/h7H,6H2,1-5H3,(H,13,16)
InChIKeyKOGSWJNEXDIRTI-UHFFFAOYSA-N
XLogP2.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Tert-butyl-3-methyl-4,5,7-triazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3-trien-8-one
CID 135875699
7'-Methyl-2',3',4',6'-tetrahydrospiro[cyclohexane-1,1'-pyrazolo[3,4-b]pyridine]-3'-one
CID 136227261
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
(4S)-1-tert-butyl-4-(1,3-dimethylpyrazol-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136012252
(4S)-4-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-3-cyclobutyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136698065
3-Methyl-4-propyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 137083087
3-Methyl-4-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 137083088
1-butyl-3-methyl-4-(4-piperidinyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one hydrochloride
CID 135987021
rac-4-(cis-4-aminocyclohexyl)-1-cyclohexyl-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 136060361
3-methyl-4-[2-(methylthio)ethyl]-2-propyl-2,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 136069320
3-(1-Ethyl-5-formamido-3-methylpyrazol-4-yl)propanamide
CID 57176094

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1-tert-butyl-3,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 155424486) is 1-tert-butyl-3,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1-tert-butyl-3,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1-tert-butyl-3,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(C(C)(C)C)c2c1C(C)CC(=O)N2.
What is the InChIKey of 1-tert-butyl-3,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is KOGSWJNEXDIRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-7-6-9(16)13-11-10(7)8(2)14-15(11)12(3,4)5/h7H,6H2,1-5H3,(H,13,16).
What are the key properties of 1-tert-butyl-3,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
1-tert-butyl-3,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 221.30 g/mol, XLogP of 2.39, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 155424486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).