2,4-dimethyl-N-[3-[(3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl)amino]cyclobutyl]-1,3-thiazole-5-carboxamide

C17H22N6O3S — CID 166333204

IUPAC2,4-dimethyl-N-[3-[(3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl)amino]cyclobutyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC2CC(NC(=O)C3CCn4c(n[nH]c4=O)C3)C2)s1
InChIInChI=1S/C17H22N6O3S/c1-8-14(27-9(2)18-8)16(25)20-12-6-11(7-12)19-15(24)10-3-4-23-13(5-10)21-22-17(23)26/h10-12H,3-7H2,1-2H3,(H,19,24)(H,20,25)(H,22,26)
InChIKeyFJOCKPKAVZPVJW-UHFFFAOYSA-N
MW390.47 g/mol
LogP0.28
Rot. Bonds4

About 2,4-dimethyl-N-[3-[(3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl)amino]cyclobutyl]-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-[3-[(3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl)amino]cyclobutyl]-1,3-thiazole-5-carboxamide (PubChem CID 166333204) has the molecular formula C17H22N6O3S and a molecular weight of 390.47 g/mol. Its IUPAC name is 2,4-dimethyl-N-[3-[(3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl)amino]cyclobutyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[3-[(3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl)amino]cyclobutyl]-1,3-thiazole-5-carboxamide
PubChem CID166333204
Molecular FormulaC17H22N6O3S
Molecular Weight390.47 g/mol
Exact Mass390.15
IUPAC Name2,4-dimethyl-N-[3-[(3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl)amino]cyclobutyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC2CC(NC(=O)C3CCn4c(n[nH]c4=O)C3)C2)s1
InChIInChI=1S/C17H22N6O3S/c1-8-14(27-9(2)18-8)16(25)20-12-6-11(7-12)19-15(24)10-3-4-23-13(5-10)21-22-17(23)26/h10-12H,3-7H2,1-2H3,(H,19,24)(H,20,25)(H,22,26)
InChIKeyFJOCKPKAVZPVJW-UHFFFAOYSA-N
XLogP0.28
TPSA121.77 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2,4-dimethyl-N-[3-[(3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl)amino]cyclobutyl]-1,3-thiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[3-[(3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl)amino]cyclobutyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[3-[(3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl)amino]cyclobutyl]-1,3-thiazole-5-carboxamide (CID 166333204) is 2,4-dimethyl-N-[3-[(3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl)amino]cyclobutyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[3-[(3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl)amino]cyclobutyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[3-[(3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl)amino]cyclobutyl]-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NC2CC(NC(=O)C3CCn4c(n[nH]c4=O)C3)C2)s1.
What is the InChIKey of 2,4-dimethyl-N-[3-[(3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl)amino]cyclobutyl]-1,3-thiazole-5-carboxamide?
The InChIKey is FJOCKPKAVZPVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3S/c1-8-14(27-9(2)18-8)16(25)20-12-6-11(7-12)19-15(24)10-3-4-23-13(5-10)21-22-17(23)26/h10-12H,3-7H2,1-2H3,(H,19,24)(H,20,25)(H,22,26).
What are the key properties of 2,4-dimethyl-N-[3-[(3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl)amino]cyclobutyl]-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-[3-[(3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl)amino]cyclobutyl]-1,3-thiazole-5-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[3-[(3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl)amino]cyclobutyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166333204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).