N-[5-[4-[[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C27H30N8O — CID 58374731

About N-[5-[4-[[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-[[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 58374731) has the molecular formula C27H30N8O and a molecular weight of 482.59 g/mol. Its IUPAC name is N-[5-[4-[[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[4-[[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
• PubChem CID: 58374731
• Molecular Formula: C27H30N8O
• Molecular Weight: 482.59 g/mol
• Exact Mass: 482.25
• IUPAC Name: N-[5-[4-[[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
• SMILES: CN1CCN(c2ccc(NCc3ccc(-c4cccc5nc(NC(=O)C6CC6)nn45)cc3)cn2)CC1
• InChI: InChI=1S/C27H30N8O/c1-33-13-15-34(16-14-33)24-12-11-22(18-29-24)28-17-19-5-7-20(8-6-19)23-3-2-4-25-30-27(32-35(23)25)31-26(36)21-9-10-21/h2-8,11-12,18,21,28H,9-10,13-17H2,1H3,(H,31,32,36)
• InChIKey: MFOGBHHPNSJUBL-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 90.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.59
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

The IUPAC name of N-[5-[4-[[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 58374731) is N-[5-[4-[[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[5-[4-[[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[5-[4-[[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is CN1CCN(c2ccc(NCc3ccc(-c4cccc5nc(NC(=O)C6CC6)nn45)cc3)cn2)CC1.

What is the InChIKey of N-[5-[4-[[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

The InChIKey is MFOGBHHPNSJUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N8O/c1-33-13-15-34(16-14-33)24-12-11-22(18-29-24)28-17-19-5-7-20(8-6-19)23-3-2-4-25-30-27(32-35(23)25)31-26(36)21-9-10-21/h2-8,11-12,18,21,28H,9-10,13-17H2,1H3,(H,31,32,36).

What are the key properties of N-[5-[4-[[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

N-[5-[4-[[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 482.59 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4-[[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 58374731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).