N-(1-butyl-5-methylpyrazol-3-yl)-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide

C25H30N6O — CID 44821397

IUPACN-(1-butyl-5-methylpyrazol-3-yl)-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCCn1nc(NC(=O)c2cc(-c3ccc(C)cc3)nc3c2c(C)nn3CC)cc1C
InChIInChI=1S/C25H30N6O/c1-6-8-13-31-17(4)14-22(29-31)27-25(32)20-15-21(19-11-9-16(3)10-12-19)26-24-23(20)18(5)28-30(24)7-2/h9-12,14-15H,6-8,13H2,1-5H3,(H,27,29,32)
InChIKeyHOXLKHRMCGFEEC-UHFFFAOYSA-N
MW430.56 g/mol
LogP5.29
Rot. Bonds7

About N-(1-butyl-5-methylpyrazol-3-yl)-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide

N-(1-butyl-5-methylpyrazol-3-yl)-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44821397) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is N-(1-butyl-5-methylpyrazol-3-yl)-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-butyl-5-methylpyrazol-3-yl)-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44821397
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC NameN-(1-butyl-5-methylpyrazol-3-yl)-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCCn1nc(NC(=O)c2cc(-c3ccc(C)cc3)nc3c2c(C)nn3CC)cc1C
InChIInChI=1S/C25H30N6O/c1-6-8-13-31-17(4)14-22(29-31)27-25(32)20-15-21(19-11-9-16(3)10-12-19)26-24-23(20)18(5)28-30(24)7-2/h9-12,14-15H,6-8,13H2,1-5H3,(H,27,29,32)
InChIKeyHOXLKHRMCGFEEC-UHFFFAOYSA-N
XLogP5.29
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.56
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzyl-5-methylpyrazol-3-yl)-1-butyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 19590060
N-(1-butyl-5-methylpyrazol-3-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44822693
N-(1-ethyl-5-methylpyrazol-4-yl)-1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 44821435
1-ethyl-3-methyl-6-(4-methylphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 44821453
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51852899
N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51852900
1-ethyl-3-methyl-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 98221181
[1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone
CID 44821512
1-butyl-N-(2,6-dibromo-4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 19589113
1-ethyl-3-methyl-6-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51852866
1-ethyl-3,6-dimethyl-N-(1-propan-2-ylpyrazol-3-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 44822932
methyl 1-ethyl-6-(3-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 19585703

Frequently Asked Questions

What is the IUPAC name of N-(1-butyl-5-methylpyrazol-3-yl)-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(1-butyl-5-methylpyrazol-3-yl)-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 44821397) is N-(1-butyl-5-methylpyrazol-3-yl)-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(1-butyl-5-methylpyrazol-3-yl)-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(1-butyl-5-methylpyrazol-3-yl)-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide is CCCCn1nc(NC(=O)c2cc(-c3ccc(C)cc3)nc3c2c(C)nn3CC)cc1C.
What is the InChIKey of N-(1-butyl-5-methylpyrazol-3-yl)-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is HOXLKHRMCGFEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c1-6-8-13-31-17(4)14-22(29-31)27-25(32)20-15-21(19-11-9-16(3)10-12-19)26-24-23(20)18(5)28-30(24)7-2/h9-12,14-15H,6-8,13H2,1-5H3,(H,27,29,32).
What are the key properties of N-(1-butyl-5-methylpyrazol-3-yl)-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
N-(1-butyl-5-methylpyrazol-3-yl)-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 430.56 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butyl-5-methylpyrazol-3-yl)-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44821397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).