chlorobenzene;ethane;N-[4-[[8-(4-propylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropanecarboxamide

C32H42ClN7O — CID 165132086

About chlorobenzene;ethane;N-[4-[[8-(4-propylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropanecarboxamide

chlorobenzene;ethane;N-[4-[[8-(4-propylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 165132086) has the molecular formula C32H42ClN7O and a molecular weight of 576.19 g/mol. Its IUPAC name is chlorobenzene;ethane;N-[4-[[8-(4-propylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: chlorobenzene;ethane;N-[4-[[8-(4-propylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropanecarboxamide
• PubChem CID: 165132086
• Molecular Formula: C32H42ClN7O
• Molecular Weight: 576.19 g/mol
• Exact Mass: 575.31
• IUPAC Name: chlorobenzene;ethane;N-[4-[[8-(4-propylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropanecarboxamide
• SMILES: CC.CCCN1CCN(c2cccn3cc(CNc4ccnc(NC(=O)C5CC5)c4)nc23)CC1.Clc1ccccc1
• InChI: InChI=1S/C24H31N7O.C6H5Cl.C2H6/c1-2-9-29-11-13-30(14-12-29)21-4-3-10-31-17-20(27-23(21)31)16-26-19-7-8-25-22(15-19)28-24(32)18-5-6-18;7-6-4-2-1-3-5-6;1-2/h3-4,7-8,10,15,17-18H,2,5-6,9,11-14,16H2,1H3,(H2,25,26,28,32);1-5H;1-2H3
• InChIKey: ZSAGZQKNNJOQJC-UHFFFAOYSA-N
• XLogP: 6.59
• TPSA: 77.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.19
LogP ≤ 5	6.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of chlorobenzene;ethane;N-[4-[[8-(4-propylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropanecarboxamide?

The IUPAC name of chlorobenzene;ethane;N-[4-[[8-(4-propylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropanecarboxamide (CID 165132086) is chlorobenzene;ethane;N-[4-[[8-(4-propylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropanecarboxamide.

What is the SMILES notation for chlorobenzene;ethane;N-[4-[[8-(4-propylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropanecarboxamide?

The canonical SMILES for chlorobenzene;ethane;N-[4-[[8-(4-propylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropanecarboxamide is CC.CCCN1CCN(c2cccn3cc(CNc4ccnc(NC(=O)C5CC5)c4)nc23)CC1.Clc1ccccc1.

What is the InChIKey of chlorobenzene;ethane;N-[4-[[8-(4-propylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropanecarboxamide?

The InChIKey is ZSAGZQKNNJOQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O.C6H5Cl.C2H6/c1-2-9-29-11-13-30(14-12-29)21-4-3-10-31-17-20(27-23(21)31)16-26-19-7-8-25-22(15-19)28-24(32)18-5-6-18;7-6-4-2-1-3-5-6;1-2/h3-4,7-8,10,15,17-18H,2,5-6,9,11-14,16H2,1H3,(H2,25,26,28,32);1-5H;1-2H3.

What are the key properties of chlorobenzene;ethane;N-[4-[[8-(4-propylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropanecarboxamide?

chlorobenzene;ethane;N-[4-[[8-(4-propylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 576.19 g/mol, XLogP of 6.59, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for chlorobenzene;ethane;N-[4-[[8-(4-propylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 165132086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).