N-[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

C19H26N6O — CID 51570375

IUPACN-[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCn1nccc1[C@@H](C)NC(=O)c1cc(C)nc2c1c(C)nn2C(C)C
InChIInChI=1S/C19H26N6O/c1-7-24-16(8-9-20-24)13(5)22-19(26)15-10-12(4)21-18-17(15)14(6)23-25(18)11(2)3/h8-11,13H,7H2,1-6H3,(H,22,26)/t13-/m1/s1
InChIKeyNQBZORZQRWNBAZ-CYBMUJFWSA-N
MW354.46 g/mol
LogP3.34
Rot. Bonds5

About N-[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

N-[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 51570375) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is N-[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID51570375
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC NameN-[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCn1nccc1[C@@H](C)NC(=O)c1cc(C)nc2c1c(C)nn2C(C)C
InChIInChI=1S/C19H26N6O/c1-7-24-16(8-9-20-24)13(5)22-19(26)15-10-12(4)21-18-17(15)14(6)23-25(18)11(2)3/h8-11,13H,7H2,1-6H3,(H,22,26)/t13-/m1/s1
InChIKeyNQBZORZQRWNBAZ-CYBMUJFWSA-N
XLogP3.34
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2-ethylpyrazol-3-yl)ethyl]-1-(4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823458
3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 19619986
N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 19589846
1-ethyl-3,6-dimethyl-N-(1-propan-2-ylpyrazol-3-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 44822932
2-bromo-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide
CID 19414972
N-[1-(2-ethylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 19583682
2,3-dichloro-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide
CID 19415098
1-benzyl-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823462
1-ethyl-3,6-dimethyl-N-propylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 35532740
1-benzyl-3,6-dimethyl-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823444
2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid
CID 119223760
N-[1-(2-ethylpyrazol-3-yl)ethyl]-3-fluorobenzamide
CID 19415003

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 51570375) is N-[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide is CCn1nccc1[C@@H](C)NC(=O)c1cc(C)nc2c1c(C)nn2C(C)C.
What is the InChIKey of N-[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is NQBZORZQRWNBAZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H26N6O/c1-7-24-16(8-9-20-24)13(5)22-19(26)15-10-12(4)21-18-17(15)14(6)23-25(18)11(2)3/h8-11,13H,7H2,1-6H3,(H,22,26)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 354.46 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 51570375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).