(2R)-2-methyl-1-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one

C20H25N7O — CID 97276713

About (2R)-2-methyl-1-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one

(2R)-2-methyl-1-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one (PubChem CID 97276713) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is (2R)-2-methyl-1-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one.

Molecular Properties

• Compound Name: (2R)-2-methyl-1-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
• PubChem CID: 97276713
• Molecular Formula: C20H25N7O
• Molecular Weight: 379.47 g/mol
• Exact Mass: 379.21
• IUPAC Name: (2R)-2-methyl-1-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
• SMILES: C[C@H](Cn1cncn1)C(=O)N1CCC(c2nccn2Cc2cccnc2)CC1
• InChI: InChI=1S/C20H25N7O/c1-16(12-27-15-22-14-24-27)20(28)25-8-4-18(5-9-25)19-23-7-10-26(19)13-17-3-2-6-21-11-17/h2-3,6-7,10-11,14-16,18H,4-5,8-9,12-13H2,1H3/t16-/m1/s1
• InChIKey: MWESXYMPUORJTP-MRXNPFEDSA-N
• XLogP: 1.96
• TPSA: 81.73 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.47
LogP ≤ 5	1.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one?

The IUPAC name of (2R)-2-methyl-1-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one (CID 97276713) is (2R)-2-methyl-1-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one.

What is the SMILES notation for (2R)-2-methyl-1-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one?

The canonical SMILES for (2R)-2-methyl-1-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one is C[C@H](Cn1cncn1)C(=O)N1CCC(c2nccn2Cc2cccnc2)CC1.

What is the InChIKey of (2R)-2-methyl-1-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one?

The InChIKey is MWESXYMPUORJTP-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25N7O/c1-16(12-27-15-22-14-24-27)20(28)25-8-4-18(5-9-25)19-23-7-10-26(19)13-17-3-2-6-21-11-17/h2-3,6-7,10-11,14-16,18H,4-5,8-9,12-13H2,1H3/t16-/m1/s1.

What are the key properties of (2R)-2-methyl-1-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one?

(2R)-2-methyl-1-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one has a molecular weight of 379.47 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-methyl-1-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one is sourced from PubChem (CID 97276713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).