6-cyclopropyl-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C22H23N7O2 — CID 60510859

IUPAC6-cyclopropyl-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccccc1-c1nc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)n[nH]1
InChIInChI=1S/C22H23N7O2/c1-12(2)29-20-16(11-23-29)15(10-17(24-20)13-8-9-13)21(30)26-22-25-19(27-28-22)14-6-4-5-7-18(14)31-3/h4-7,10-13H,8-9H2,1-3H3,(H2,25,26,27,28,30)
InChIKeyKAXUGEQWFMHABP-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.94
Rot. Bonds6

About 6-cyclopropyl-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 60510859) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is 6-cyclopropyl-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID60510859
Molecular FormulaC22H23N7O2
Molecular Weight417.47 g/mol
Exact Mass417.19
IUPAC Name6-cyclopropyl-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccccc1-c1nc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)n[nH]1
InChIInChI=1S/C22H23N7O2/c1-12(2)29-20-16(11-23-29)15(10-17(24-20)13-8-9-13)21(30)26-22-25-19(27-28-22)14-6-4-5-7-18(14)31-3/h4-7,10-13H,8-9H2,1-3H3,(H2,25,26,27,28,30)
InChIKeyKAXUGEQWFMHABP-UHFFFAOYSA-N
XLogP3.94
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 51119952
6-cyclopropyl-1-propan-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 17492877
6-cyclopropyl-1-propan-2-yl-N-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 35034977
(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 26718637
6-cyclopropyl-N-[2-(1-phenylethylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16557300
N-[4-(carbamoylamino)phenyl]-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 33152940
6-cyclopropyl-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 60571985
6-cyclopropyl-1-propan-2-yl-N-quinolin-8-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 30845972
6-cyclopropyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 86872710
6-cyclopropyl-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 41131764
(2-methoxy-2-oxo-1-phenylethyl) 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 42897722
[1-oxo-1-(2-phenylanilino)propan-2-yl] 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 43024349

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 60510859) is 6-cyclopropyl-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is COc1ccccc1-c1nc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)n[nH]1.
What is the InChIKey of 6-cyclopropyl-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is KAXUGEQWFMHABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2/c1-12(2)29-20-16(11-23-29)15(10-17(24-20)13-8-9-13)21(30)26-22-25-19(27-28-22)14-6-4-5-7-18(14)31-3/h4-7,10-13H,8-9H2,1-3H3,(H2,25,26,27,28,30).
What are the key properties of 6-cyclopropyl-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 60510859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).