3-methyl-N-[5-(2,3,3-trimethylbutyl)-1H-pyrazol-3-yl]triazolo[4,5-b]pyridine-6-carboxamide

C17H23N7O — CID 75505487

IUPAC3-methyl-N-[5-(2,3,3-trimethylbutyl)-1H-pyrazol-3-yl]triazolo[4,5-b]pyridine-6-carboxamide
SMILESCC(Cc1cc(NC(=O)c2cnc3c(c2)nnn3C)n[nH]1)C(C)(C)C
InChIInChI=1S/C17H23N7O/c1-10(17(2,3)4)6-12-8-14(22-20-12)19-16(25)11-7-13-15(18-9-11)24(5)23-21-13/h7-10H,6H2,1-5H3,(H2,19,20,22,25)
InChIKeyJKDOWZPPXMQZIL-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.56
Rot. Bonds4

About 3-methyl-N-[5-(2,3,3-trimethylbutyl)-1H-pyrazol-3-yl]triazolo[4,5-b]pyridine-6-carboxamide

3-methyl-N-[5-(2,3,3-trimethylbutyl)-1H-pyrazol-3-yl]triazolo[4,5-b]pyridine-6-carboxamide (PubChem CID 75505487) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 3-methyl-N-[5-(2,3,3-trimethylbutyl)-1H-pyrazol-3-yl]triazolo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[5-(2,3,3-trimethylbutyl)-1H-pyrazol-3-yl]triazolo[4,5-b]pyridine-6-carboxamide
PubChem CID75505487
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name3-methyl-N-[5-(2,3,3-trimethylbutyl)-1H-pyrazol-3-yl]triazolo[4,5-b]pyridine-6-carboxamide
SMILESCC(Cc1cc(NC(=O)c2cnc3c(c2)nnn3C)n[nH]1)C(C)(C)C
InChIInChI=1S/C17H23N7O/c1-10(17(2,3)4)6-12-8-14(22-20-12)19-16(25)11-7-13-15(18-9-11)24(5)23-21-13/h7-10H,6H2,1-5H3,(H2,19,20,22,25)
InChIKeyJKDOWZPPXMQZIL-UHFFFAOYSA-N
XLogP2.56
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-(2,3,3-trimethylbutyl)-1H-pyrazol-3-yl]triazolo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 3-methyl-N-[5-(2,3,3-trimethylbutyl)-1H-pyrazol-3-yl]triazolo[4,5-b]pyridine-6-carboxamide (CID 75505487) is 3-methyl-N-[5-(2,3,3-trimethylbutyl)-1H-pyrazol-3-yl]triazolo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-methyl-N-[5-(2,3,3-trimethylbutyl)-1H-pyrazol-3-yl]triazolo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 3-methyl-N-[5-(2,3,3-trimethylbutyl)-1H-pyrazol-3-yl]triazolo[4,5-b]pyridine-6-carboxamide is CC(Cc1cc(NC(=O)c2cnc3c(c2)nnn3C)n[nH]1)C(C)(C)C.
What is the InChIKey of 3-methyl-N-[5-(2,3,3-trimethylbutyl)-1H-pyrazol-3-yl]triazolo[4,5-b]pyridine-6-carboxamide?
The InChIKey is JKDOWZPPXMQZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-10(17(2,3)4)6-12-8-14(22-20-12)19-16(25)11-7-13-15(18-9-11)24(5)23-21-13/h7-10H,6H2,1-5H3,(H2,19,20,22,25).
What are the key properties of 3-methyl-N-[5-(2,3,3-trimethylbutyl)-1H-pyrazol-3-yl]triazolo[4,5-b]pyridine-6-carboxamide?
3-methyl-N-[5-(2,3,3-trimethylbutyl)-1H-pyrazol-3-yl]triazolo[4,5-b]pyridine-6-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-(2,3,3-trimethylbutyl)-1H-pyrazol-3-yl]triazolo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 75505487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).