N-(2,5-dimethylpyrazol-3-yl)-1-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]cyclohexane-1-carboxamide

C24H27N7O3 — CID 46207684

About N-(2,5-dimethylpyrazol-3-yl)-1-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]cyclohexane-1-carboxamide

N-(2,5-dimethylpyrazol-3-yl)-1-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]cyclohexane-1-carboxamide (PubChem CID 46207684) has the molecular formula C24H27N7O3 and a molecular weight of 461.53 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-1-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: N-(2,5-dimethylpyrazol-3-yl)-1-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]cyclohexane-1-carboxamide
• PubChem CID: 46207684
• Molecular Formula: C24H27N7O3
• Molecular Weight: 461.53 g/mol
• Exact Mass: 461.22
• IUPAC Name: N-(2,5-dimethylpyrazol-3-yl)-1-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]cyclohexane-1-carboxamide
• SMILES: Cc1cc(NC(=O)C2(OCc3cc(=O)n4[nH]c(-c5ccccc5)nc4n3)CCCCC2)n(C)n1
• InChI: InChI=1S/C24H27N7O3/c1-16-13-19(30(2)28-16)26-22(33)24(11-7-4-8-12-24)34-15-18-14-20(32)31-23(25-18)27-21(29-31)17-9-5-3-6-10-17/h3,5-6,9-10,13-14H,4,7-8,11-12,15H2,1-2H3,(H,26,33)(H,25,27,29)
• InChIKey: HXOIRMNGSRWUHA-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 119.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.53
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-1-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]cyclohexane-1-carboxamide?

The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-1-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]cyclohexane-1-carboxamide (CID 46207684) is N-(2,5-dimethylpyrazol-3-yl)-1-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]cyclohexane-1-carboxamide.

What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-1-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]cyclohexane-1-carboxamide?

The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-1-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]cyclohexane-1-carboxamide is Cc1cc(NC(=O)C2(OCc3cc(=O)n4[nH]c(-c5ccccc5)nc4n3)CCCCC2)n(C)n1.

What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-1-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]cyclohexane-1-carboxamide?

The InChIKey is HXOIRMNGSRWUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O3/c1-16-13-19(30(2)28-16)26-22(33)24(11-7-4-8-12-24)34-15-18-14-20(32)31-23(25-18)27-21(29-31)17-9-5-3-6-10-17/h3,5-6,9-10,13-14H,4,7-8,11-12,15H2,1-2H3,(H,26,33)(H,25,27,29).

What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-1-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]cyclohexane-1-carboxamide?

N-(2,5-dimethylpyrazol-3-yl)-1-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]cyclohexane-1-carboxamide has a molecular weight of 461.53 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,5-dimethylpyrazol-3-yl)-1-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]cyclohexane-1-carboxamide is sourced from PubChem (CID 46207684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).