1-ethyl-3-methyl-6-(4-methylphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

C23H26N6O — CID 44821453

IUPAC1-ethyl-3-methyl-6-(4-methylphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1nc(C)c2c(C(=O)NC(C)Cn3cccn3)cc(-c3ccc(C)cc3)nc21
InChIInChI=1S/C23H26N6O/c1-5-29-22-21(17(4)27-29)19(13-20(26-22)18-9-7-15(2)8-10-18)23(30)25-16(3)14-28-12-6-11-24-28/h6-13,16H,5,14H2,1-4H3,(H,25,30)
InChIKeyKTJMVLMGBADOCF-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.75
Rot. Bonds6

About 1-ethyl-3-methyl-6-(4-methylphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

1-ethyl-3-methyl-6-(4-methylphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44821453) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is 1-ethyl-3-methyl-6-(4-methylphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-methyl-6-(4-methylphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44821453
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name1-ethyl-3-methyl-6-(4-methylphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1nc(C)c2c(C(=O)NC(C)Cn3cccn3)cc(-c3ccc(C)cc3)nc21
InChIInChI=1S/C23H26N6O/c1-5-29-22-21(17(4)27-29)19(13-20(26-22)18-9-7-15(2)8-10-18)23(30)25-16(3)14-28-12-6-11-24-28/h6-13,16H,5,14H2,1-4H3,(H,25,30)
InChIKeyKTJMVLMGBADOCF-UHFFFAOYSA-N
XLogP3.75
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-6-(4-methylphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-ethyl-3-methyl-6-(4-methylphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 44821453) is 1-ethyl-3-methyl-6-(4-methylphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-ethyl-3-methyl-6-(4-methylphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-ethyl-3-methyl-6-(4-methylphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is CCn1nc(C)c2c(C(=O)NC(C)Cn3cccn3)cc(-c3ccc(C)cc3)nc21.
What is the InChIKey of 1-ethyl-3-methyl-6-(4-methylphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is KTJMVLMGBADOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c1-5-29-22-21(17(4)27-29)19(13-20(26-22)18-9-7-15(2)8-10-18)23(30)25-16(3)14-28-12-6-11-24-28/h6-13,16H,5,14H2,1-4H3,(H,25,30).
What are the key properties of 1-ethyl-3-methyl-6-(4-methylphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
1-ethyl-3-methyl-6-(4-methylphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-6-(4-methylphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44821453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).