1-(3-methyl-2H-indazol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide

C24H28N4O — CID 56646634

About 1-(3-methyl-2H-indazol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide

1-(3-methyl-2H-indazol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide (PubChem CID 56646634) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 1-(3-methyl-2H-indazol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-(3-methyl-2H-indazol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide
• PubChem CID: 56646634
• Molecular Formula: C24H28N4O
• Molecular Weight: 388.52 g/mol
• Exact Mass: 388.23
• IUPAC Name: 1-(3-methyl-2H-indazol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide
• SMILES: Cc1[nH]nc2ccc(C3(C(=O)N[C@H](CN4CCCC4)c4ccccc4)CC3)cc12
• InChI: InChI=1S/C24H28N4O/c1-17-20-15-19(9-10-21(20)27-26-17)24(11-12-24)23(29)25-22(16-28-13-5-6-14-28)18-7-3-2-4-8-18/h2-4,7-10,15,22H,5-6,11-14,16H2,1H3,(H,25,29)(H,26,27)/t22-/m1/s1
• InChIKey: ZZSYQAFKVIQGMU-JOCHJYFZSA-N
• XLogP: 3.86
• TPSA: 61.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.52
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2H-indazol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide?

The IUPAC name of 1-(3-methyl-2H-indazol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide (CID 56646634) is 1-(3-methyl-2H-indazol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide.

What is the SMILES notation for 1-(3-methyl-2H-indazol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide?

The canonical SMILES for 1-(3-methyl-2H-indazol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide is Cc1[nH]nc2ccc(C3(C(=O)N[C@H](CN4CCCC4)c4ccccc4)CC3)cc12.

What is the InChIKey of 1-(3-methyl-2H-indazol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide?

The InChIKey is ZZSYQAFKVIQGMU-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H28N4O/c1-17-20-15-19(9-10-21(20)27-26-17)24(11-12-24)23(29)25-22(16-28-13-5-6-14-28)18-7-3-2-4-8-18/h2-4,7-10,15,22H,5-6,11-14,16H2,1H3,(H,25,29)(H,26,27)/t22-/m1/s1.

What are the key properties of 1-(3-methyl-2H-indazol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide?

1-(3-methyl-2H-indazol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-methyl-2H-indazol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 56646634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).