N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

C23H26N6O — CID 55707373

IUPACN-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1cc(C)n(-c2ccc(CCNC(=O)c3cnc4c(cnn4C(C)C)c3)cc2)n1
InChIInChI=1S/C23H26N6O/c1-15(2)28-22-19(14-26-28)12-20(13-25-22)23(30)24-10-9-18-5-7-21(8-6-18)29-17(4)11-16(3)27-29/h5-8,11-15H,9-10H2,1-4H3,(H,24,30)
InChIKeyLUOOSTONRAJNBN-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.79
Rot. Bonds6

About N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 55707373) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID55707373
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC NameN-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1cc(C)n(-c2ccc(CCNC(=O)c3cnc4c(cnn4C(C)C)c3)cc2)n1
InChIInChI=1S/C23H26N6O/c1-15(2)28-22-19(14-26-28)12-20(13-25-22)23(30)24-10-9-18-5-7-21(8-6-18)29-17(4)11-16(3)27-29/h5-8,11-15H,9-10H2,1-4H3,(H,24,30)
InChIKeyLUOOSTONRAJNBN-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412823
6-methyl-1-propan-2-yl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 41413354
4-[2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]ethyl]benzoic acid
CID 120512999
N-[(4-nitrophenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 47063560
1-[2-(4-fluorophenyl)ethyl]-3-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)urea
CID 47040134
[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 24585350
N-(3-aminobutyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 119499461
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 55723880
2-(difluoromethyl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3H-benzimidazole-5-carboxamide
CID 56561065
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 55707242
4-[2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]ethyl]benzoic acid
CID 120513011
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 55729815

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 55707373) is N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is Cc1cc(C)n(-c2ccc(CCNC(=O)c3cnc4c(cnn4C(C)C)c3)cc2)n1.
What is the InChIKey of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is LUOOSTONRAJNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c1-15(2)28-22-19(14-26-28)12-20(13-25-22)23(30)24-10-9-18-5-7-21(8-6-18)29-17(4)11-16(3)27-29/h5-8,11-15H,9-10H2,1-4H3,(H,24,30).
What are the key properties of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 55707373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).