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

C24H28N6O — CID 51852899

IUPACN-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1nc(C)c2c(C(=O)N[C@@H](C)c3cnn(C)c3C)cc(-c3ccc(C)cc3)nc21
InChIInChI=1S/C24H28N6O/c1-7-30-23-22(16(4)28-30)19(12-21(27-23)18-10-8-14(2)9-11-18)24(31)26-15(3)20-13-25-29(6)17(20)5/h8-13,15H,7H2,1-6H3,(H,26,31)/t15-/m0/s1
InChIKeyIELZMMXLTFRXCH-HNNXBMFYSA-N
MW416.53 g/mol
LogP4.27
Rot. Bonds5

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

N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 51852899) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID51852899
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC NameN-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1nc(C)c2c(C(=O)N[C@@H](C)c3cnn(C)c3C)cc(-c3ccc(C)cc3)nc21
InChIInChI=1S/C24H28N6O/c1-7-30-23-22(16(4)28-30)19(12-21(27-23)18-10-8-14(2)9-11-18)24(31)26-15(3)20-13-25-29(6)17(20)5/h8-13,15H,7H2,1-6H3,(H,26,31)/t15-/m0/s1
InChIKeyIELZMMXLTFRXCH-HNNXBMFYSA-N
XLogP4.27
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 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) is N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide is CCn1nc(C)c2c(C(=O)N[C@@H](C)c3cnn(C)c3C)cc(-c3ccc(C)cc3)nc21.
What is the InChIKey of N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is IELZMMXLTFRXCH-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H28N6O/c1-7-30-23-22(16(4)28-30)19(12-21(27-23)18-10-8-14(2)9-11-18)24(31)26-15(3)20-13-25-29(6)17(20)5/h8-13,15H,7H2,1-6H3,(H,26,31)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 51852899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).