N-[5-[(3R)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide

C20H26N8O — CID 97343982

About N-[5-[(3R)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide

N-[5-[(3R)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide (PubChem CID 97343982) has the molecular formula C20H26N8O and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[5-[(3R)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[(3R)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
• PubChem CID: 97343982
• Molecular Formula: C20H26N8O
• Molecular Weight: 394.48 g/mol
• Exact Mass: 394.22
• IUPAC Name: N-[5-[(3R)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
• SMILES: Cc1cc(N2CCC[C@@H](c3[nH]ncc3NC(=O)C3CCCC3)C2)n2ncnc2n1
• InChI: InChI=1S/C20H26N8O/c1-13-9-17(28-20(24-13)21-12-23-28)27-8-4-7-15(11-27)18-16(10-22-26-18)25-19(29)14-5-2-3-6-14/h9-10,12,14-15H,2-8,11H2,1H3,(H,22,26)(H,25,29)/t15-/m1/s1
• InChIKey: UJBWUUGAACACIP-OAHLLOKOSA-N
• XLogP: 2.67
• TPSA: 104.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.48
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3R)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide?

The IUPAC name of N-[5-[(3R)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide (CID 97343982) is N-[5-[(3R)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide.

What is the SMILES notation for N-[5-[(3R)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide?

The canonical SMILES for N-[5-[(3R)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide is Cc1cc(N2CCC[C@@H](c3[nH]ncc3NC(=O)C3CCCC3)C2)n2ncnc2n1.

What is the InChIKey of N-[5-[(3R)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide?

The InChIKey is UJBWUUGAACACIP-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H26N8O/c1-13-9-17(28-20(24-13)21-12-23-28)27-8-4-7-15(11-27)18-16(10-22-26-18)25-19(29)14-5-2-3-6-14/h9-10,12,14-15H,2-8,11H2,1H3,(H,22,26)(H,25,29)/t15-/m1/s1.

What are the key properties of N-[5-[(3R)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide?

N-[5-[(3R)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide has a molecular weight of 394.48 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(3R)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide is sourced from PubChem (CID 97343982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).