4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide

C24H27ClN4O2 — CID 160895733

About 4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide

4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide (PubChem CID 160895733) has the molecular formula C24H27ClN4O2 and a molecular weight of 438.96 g/mol. Its IUPAC name is 4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide
• PubChem CID: 160895733
• Molecular Formula: C24H27ClN4O2
• Molecular Weight: 438.96 g/mol
• Exact Mass: 438.18
• IUPAC Name: 4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide
• SMILES: Cc1ccc(NC(=O)N2CCC(C3(C(O)c4cc(Cl)cc5cn[nH]c45)CC3)CC2)cc1
• InChI: InChI=1S/C24H27ClN4O2/c1-15-2-4-19(5-3-15)27-23(31)29-10-6-17(7-11-29)24(8-9-24)22(30)20-13-18(25)12-16-14-26-28-21(16)20/h2-5,12-14,17,22,30H,6-11H2,1H3,(H,26,28)(H,27,31)
• InChIKey: ZXADFCRDVHEBDT-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 81.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.96
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide?

The IUPAC name of 4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide (CID 160895733) is 4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide.

What is the SMILES notation for 4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide?

The canonical SMILES for 4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(C3(C(O)c4cc(Cl)cc5cn[nH]c45)CC3)CC2)cc1.

What is the InChIKey of 4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide?

The InChIKey is ZXADFCRDVHEBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O2/c1-15-2-4-19(5-3-15)27-23(31)29-10-6-17(7-11-29)24(8-9-24)22(30)20-13-18(25)12-16-14-26-28-21(16)20/h2-5,12-14,17,22,30H,6-11H2,1H3,(H,26,28)(H,27,31).

What are the key properties of 4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide?

4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide has a molecular weight of 438.96 g/mol, XLogP of 5.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 160895733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).