2-tert-butyl-1-(6-methyl-3-pyridinyl)pyrazolo[4,3-c]pyridin-3-one

C16H18N4O — CID 157405858

IUPAC2-tert-butyl-1-(6-methyl-3-pyridinyl)pyrazolo[4,3-c]pyridin-3-one
SMILESCc1ccc(-n2c3ccncc3c(=O)n2C(C)(C)C)cn1
InChIInChI=1S/C16H18N4O/c1-11-5-6-12(9-18-11)19-14-7-8-17-10-13(14)15(21)20(19)16(2,3)4/h5-10H,1-4H3
InChIKeyIRDXISOFZDORAG-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.65
Rot. Bonds1

About 2-tert-butyl-1-(6-methyl-3-pyridinyl)pyrazolo[4,3-c]pyridin-3-one

2-tert-butyl-1-(6-methyl-3-pyridinyl)pyrazolo[4,3-c]pyridin-3-one (PubChem CID 157405858) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-tert-butyl-1-(6-methyl-3-pyridinyl)pyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name2-tert-butyl-1-(6-methyl-3-pyridinyl)pyrazolo[4,3-c]pyridin-3-one
PubChem CID157405858
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-tert-butyl-1-(6-methyl-3-pyridinyl)pyrazolo[4,3-c]pyridin-3-one
SMILESCc1ccc(-n2c3ccncc3c(=O)n2C(C)(C)C)cn1
InChIInChI=1S/C16H18N4O/c1-11-5-6-12(9-18-11)19-14-7-8-17-10-13(14)15(21)20(19)16(2,3)4/h5-10H,1-4H3
InChIKeyIRDXISOFZDORAG-UHFFFAOYSA-N
XLogP2.65
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-5-(6-methyl-3-pyridinyl)imidazo[4,5-c]pyridin-4-one
CID 177336031
1,3-ditert-butylpyrido[3,2-d]pyrimidine-2,4-dione;1,3-ditert-butylpyrido[3,4-d]pyrimidine-2,4-dione;1,3-ditert-butylpyrido[4,3-d]pyrimidine-2,4-dione;1,3-ditert-butylquinazoline-2,4-dione
CID 160882249
1-methyl-3-(6-methyl-3-pyridinyl)imidazolidin-2-one
CID 170445532
5,5-dimethyl-1-(6-methyl-3-pyridinyl)-1,3-diazinane-2,4,6-trione
CID 112601337
CID 102142656
CID 102142656
5-methylbenzo[c][1,6]naphthyridin-6-one
CID 10727152
5-(6-methyl-3-pyridinyl)furo[3,2-c]pyridin-4-one
CID 177336049
4-(3-methylpyrazolo[4,5-c]pyridin-1-yl)benzoic acid
CID 117275136
1-(2-methylbutan-2-yl)-4-(6-methyl-3-pyridinyl)piperazine
CID 155260618
3-methylpyrido[4,3-d]pyrimidin-4-one
CID 59514464
3-(6-methyl-3-pyridinyl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[4,5-c]pyridine
CID 118962434
8-[4-(4-methylphenyl)phenyl]-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 143216225

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(6-methyl-3-pyridinyl)pyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 2-tert-butyl-1-(6-methyl-3-pyridinyl)pyrazolo[4,3-c]pyridin-3-one (CID 157405858) is 2-tert-butyl-1-(6-methyl-3-pyridinyl)pyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 2-tert-butyl-1-(6-methyl-3-pyridinyl)pyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 2-tert-butyl-1-(6-methyl-3-pyridinyl)pyrazolo[4,3-c]pyridin-3-one is Cc1ccc(-n2c3ccncc3c(=O)n2C(C)(C)C)cn1.
What is the InChIKey of 2-tert-butyl-1-(6-methyl-3-pyridinyl)pyrazolo[4,3-c]pyridin-3-one?
The InChIKey is IRDXISOFZDORAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11-5-6-12(9-18-11)19-14-7-8-17-10-13(14)15(21)20(19)16(2,3)4/h5-10H,1-4H3.
What are the key properties of 2-tert-butyl-1-(6-methyl-3-pyridinyl)pyrazolo[4,3-c]pyridin-3-one?
2-tert-butyl-1-(6-methyl-3-pyridinyl)pyrazolo[4,3-c]pyridin-3-one has a molecular weight of 282.35 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(6-methyl-3-pyridinyl)pyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 157405858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).