4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1,3-thiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-5-carboxamide;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine

C30H26N12O2S — CID 89464836

IUPAC4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1,3-thiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-5-carboxamide;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccc2nc(-c3cscn3)nn2c1.Nc1ccc2nc(-c3ccccc3)nn2c1
InChIInChI=1S/C18H16N8O2S.C12H10N4/c1-24-15(12(7-20-24)18(28)25-5-2-6-25)17(27)21-11-3-4-14-22-16(23-26(14)8-11)13-9-29-10-19-13;13-10-6-7-11-14-12(15-16(11)8-10)9-4-2-1-3-5-9/h3-4,7-10H,2,5-6H2,1H3,(H,21,27);1-8H,13H2
InChIKeySHOKJQHFPNNALJ-UHFFFAOYSA-N
MW618.69 g/mol
LogP3.66
Rot. Bonds5

About 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1,3-thiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-5-carboxamide;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine

4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1,3-thiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-5-carboxamide;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 89464836) has the molecular formula C30H26N12O2S and a molecular weight of 618.69 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1,3-thiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-5-carboxamide;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1,3-thiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-5-carboxamide;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID89464836
Molecular FormulaC30H26N12O2S
Molecular Weight618.69 g/mol
Exact Mass618.20
IUPAC Name4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1,3-thiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-5-carboxamide;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccc2nc(-c3cscn3)nn2c1.Nc1ccc2nc(-c3ccccc3)nn2c1
InChIInChI=1S/C18H16N8O2S.C12H10N4/c1-24-15(12(7-20-24)18(28)25-5-2-6-25)17(27)21-11-3-4-14-22-16(23-26(14)8-11)13-9-29-10-19-13;13-10-6-7-11-14-12(15-16(11)8-10)9-4-2-1-3-5-9/h3-4,7-10H,2,5-6H2,1H3,(H,21,27);1-8H,13H2
InChIKeySHOKJQHFPNNALJ-UHFFFAOYSA-N
XLogP3.66
TPSA166.52 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.69
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1,3-thiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-5-carboxamide;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1,3-thiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-5-carboxamide;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 89464836) is 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1,3-thiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-5-carboxamide;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1,3-thiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-5-carboxamide;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1,3-thiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-5-carboxamide;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine is Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccc2nc(-c3cscn3)nn2c1.Nc1ccc2nc(-c3ccccc3)nn2c1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1,3-thiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-5-carboxamide;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is SHOKJQHFPNNALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N8O2S.C12H10N4/c1-24-15(12(7-20-24)18(28)25-5-2-6-25)17(27)21-11-3-4-14-22-16(23-26(14)8-11)13-9-29-10-19-13;13-10-6-7-11-14-12(15-16(11)8-10)9-4-2-1-3-5-9/h3-4,7-10H,2,5-6H2,1H3,(H,21,27);1-8H,13H2.
What are the key properties of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1,3-thiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-5-carboxamide;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1,3-thiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-5-carboxamide;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 618.69 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1,3-thiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-5-carboxamide;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 89464836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).