(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone

C23H29N7O — CID 97211566

About (3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone

(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 97211566) has the molecular formula C23H29N7O and a molecular weight of 419.53 g/mol. Its IUPAC name is (3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
• PubChem CID: 97211566
• Molecular Formula: C23H29N7O
• Molecular Weight: 419.53 g/mol
• Exact Mass: 419.24
• IUPAC Name: (3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
• SMILES: Cc1nnc2ccc(C(=O)N3CCC[C@H](CN4CCN(c5ccccn5)CC4)C3)cn12
• InChI: InChI=1S/C23H29N7O/c1-18-25-26-22-8-7-20(17-30(18)22)23(31)29-10-4-5-19(16-29)15-27-11-13-28(14-12-27)21-6-2-3-9-24-21/h2-3,6-9,17,19H,4-5,10-16H2,1H3/t19-/m1/s1
• InChIKey: IFIZWSALICRMQP-LJQANCHMSA-N
• XLogP: 2.11
• TPSA: 69.87 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.53
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone?

The IUPAC name of (3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone (CID 97211566) is (3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone.

What is the SMILES notation for (3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone?

The canonical SMILES for (3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone is Cc1nnc2ccc(C(=O)N3CCC[C@H](CN4CCN(c5ccccn5)CC4)C3)cn12.

What is the InChIKey of (3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone?

The InChIKey is IFIZWSALICRMQP-LJQANCHMSA-N. The full InChI is InChI=1S/C23H29N7O/c1-18-25-26-22-8-7-20(17-30(18)22)23(31)29-10-4-5-19(16-29)15-27-11-13-28(14-12-27)21-6-2-3-9-24-21/h2-3,6-9,17,19H,4-5,10-16H2,1H3/t19-/m1/s1.

What are the key properties of (3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone?

(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 419.53 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 97211566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).