2-amino-7-[1-[1-(2-methoxy-4-pyridinyl)-2-methylpropyl]pyrazol-4-yl]-N-(2-methylbutyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide

C25H32N8O2 — CID 155713935

IUPAC2-amino-7-[1-[1-(2-methoxy-4-pyridinyl)-2-methylpropyl]pyrazol-4-yl]-N-(2-methylbutyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
SMILESCCC(C)CNC(=O)c1cc(-c2cnn(C(c3ccnc(OC)c3)C(C)C)c2)cc2nc(N)nn12
InChIInChI=1S/C25H32N8O2/c1-6-16(4)12-28-24(34)20-9-18(10-21-30-25(26)31-33(20)21)19-13-29-32(14-19)23(15(2)3)17-7-8-27-22(11-17)35-5/h7-11,13-16,23H,6,12H2,1-5H3,(H2,26,31)(H,28,34)
InChIKeyNLGVFXYXOVXIIP-UHFFFAOYSA-N
MW476.59 g/mol
LogP3.60
Rot. Bonds9

About 2-amino-7-[1-[1-(2-methoxy-4-pyridinyl)-2-methylpropyl]pyrazol-4-yl]-N-(2-methylbutyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide

2-amino-7-[1-[1-(2-methoxy-4-pyridinyl)-2-methylpropyl]pyrazol-4-yl]-N-(2-methylbutyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 155713935) has the molecular formula C25H32N8O2 and a molecular weight of 476.59 g/mol. Its IUPAC name is 2-amino-7-[1-[1-(2-methoxy-4-pyridinyl)-2-methylpropyl]pyrazol-4-yl]-N-(2-methylbutyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-amino-7-[1-[1-(2-methoxy-4-pyridinyl)-2-methylpropyl]pyrazol-4-yl]-N-(2-methylbutyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
PubChem CID155713935
Molecular FormulaC25H32N8O2
Molecular Weight476.59 g/mol
Exact Mass476.26
IUPAC Name2-amino-7-[1-[1-(2-methoxy-4-pyridinyl)-2-methylpropyl]pyrazol-4-yl]-N-(2-methylbutyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
SMILESCCC(C)CNC(=O)c1cc(-c2cnn(C(c3ccnc(OC)c3)C(C)C)c2)cc2nc(N)nn12
InChIInChI=1S/C25H32N8O2/c1-6-16(4)12-28-24(34)20-9-18(10-21-30-25(26)31-33(20)21)19-13-29-32(14-19)23(15(2)3)17-7-8-27-22(11-17)35-5/h7-11,13-16,23H,6,12H2,1-5H3,(H2,26,31)(H,28,34)
InChIKeyNLGVFXYXOVXIIP-UHFFFAOYSA-N
XLogP3.60
TPSA125.25 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.59
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-amino-7-[1-[1-(2-methoxy-4-pyridinyl)-2-methylpropyl]pyrazol-4-yl]-N-(2-methylbutyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[1-[1-(2-methoxy-4-pyridinyl)-2-methylpropyl]pyrazol-4-yl]-N-(2-methylbutyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide?
The IUPAC name of 2-amino-7-[1-[1-(2-methoxy-4-pyridinyl)-2-methylpropyl]pyrazol-4-yl]-N-(2-methylbutyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide (CID 155713935) is 2-amino-7-[1-[1-(2-methoxy-4-pyridinyl)-2-methylpropyl]pyrazol-4-yl]-N-(2-methylbutyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide.
What is the SMILES notation for 2-amino-7-[1-[1-(2-methoxy-4-pyridinyl)-2-methylpropyl]pyrazol-4-yl]-N-(2-methylbutyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide?
The canonical SMILES for 2-amino-7-[1-[1-(2-methoxy-4-pyridinyl)-2-methylpropyl]pyrazol-4-yl]-N-(2-methylbutyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide is CCC(C)CNC(=O)c1cc(-c2cnn(C(c3ccnc(OC)c3)C(C)C)c2)cc2nc(N)nn12.
What is the InChIKey of 2-amino-7-[1-[1-(2-methoxy-4-pyridinyl)-2-methylpropyl]pyrazol-4-yl]-N-(2-methylbutyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide?
The InChIKey is NLGVFXYXOVXIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N8O2/c1-6-16(4)12-28-24(34)20-9-18(10-21-30-25(26)31-33(20)21)19-13-29-32(14-19)23(15(2)3)17-7-8-27-22(11-17)35-5/h7-11,13-16,23H,6,12H2,1-5H3,(H2,26,31)(H,28,34).
What are the key properties of 2-amino-7-[1-[1-(2-methoxy-4-pyridinyl)-2-methylpropyl]pyrazol-4-yl]-N-(2-methylbutyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide?
2-amino-7-[1-[1-(2-methoxy-4-pyridinyl)-2-methylpropyl]pyrazol-4-yl]-N-(2-methylbutyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 476.59 g/mol, XLogP of 3.60, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[1-[1-(2-methoxy-4-pyridinyl)-2-methylpropyl]pyrazol-4-yl]-N-(2-methylbutyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 155713935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).