1-[(2R)-3-cyclohexyl-2-(ethylamino)propanoyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-ylmethyl)pyrrolidine-2-carboxamide;ethane

C26H45N5O2 — CID 142095860

About 1-[(2R)-3-cyclohexyl-2-(ethylamino)propanoyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-ylmethyl)pyrrolidine-2-carboxamide;ethane

1-[(2R)-3-cyclohexyl-2-(ethylamino)propanoyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-ylmethyl)pyrrolidine-2-carboxamide;ethane (PubChem CID 142095860) has the molecular formula C26H45N5O2 and a molecular weight of 459.68 g/mol. Its IUPAC name is 1-[(2R)-3-cyclohexyl-2-(ethylamino)propanoyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-ylmethyl)pyrrolidine-2-carboxamide;ethane.

Molecular Properties

• Compound Name: 1-[(2R)-3-cyclohexyl-2-(ethylamino)propanoyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-ylmethyl)pyrrolidine-2-carboxamide;ethane
• PubChem CID: 142095860
• Molecular Formula: C26H45N5O2
• Molecular Weight: 459.68 g/mol
• Exact Mass: 459.36
• IUPAC Name: 1-[(2R)-3-cyclohexyl-2-(ethylamino)propanoyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-ylmethyl)pyrrolidine-2-carboxamide;ethane
• SMILES: CC.CCN[C@H](CC1CCCCC1)C(=O)N1CCCC1C(=O)NCC1CCc2[nH]ncc2C1
• InChI: InChI=1S/C24H39N5O2.C2H6/c1-2-25-21(14-17-7-4-3-5-8-17)24(31)29-12-6-9-22(29)23(30)26-15-18-10-11-20-19(13-18)16-27-28-20;1-2/h16-18,21-22,25H,2-15H2,1H3,(H,26,30)(H,27,28);1-2H3/t18?,21-,22?;/m1./s1
• InChIKey: CYCHAKNVFFDKTD-URKGHRJVSA-N
• XLogP: 3.60
• TPSA: 90.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.68
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-cyclohexyl-2-(ethylamino)propanoyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-ylmethyl)pyrrolidine-2-carboxamide;ethane?

The IUPAC name of 1-[(2R)-3-cyclohexyl-2-(ethylamino)propanoyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-ylmethyl)pyrrolidine-2-carboxamide;ethane (CID 142095860) is 1-[(2R)-3-cyclohexyl-2-(ethylamino)propanoyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-ylmethyl)pyrrolidine-2-carboxamide;ethane.

What is the SMILES notation for 1-[(2R)-3-cyclohexyl-2-(ethylamino)propanoyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-ylmethyl)pyrrolidine-2-carboxamide;ethane?

The canonical SMILES for 1-[(2R)-3-cyclohexyl-2-(ethylamino)propanoyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-ylmethyl)pyrrolidine-2-carboxamide;ethane is CC.CCN[C@H](CC1CCCCC1)C(=O)N1CCCC1C(=O)NCC1CCc2[nH]ncc2C1.

What is the InChIKey of 1-[(2R)-3-cyclohexyl-2-(ethylamino)propanoyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-ylmethyl)pyrrolidine-2-carboxamide;ethane?

The InChIKey is CYCHAKNVFFDKTD-URKGHRJVSA-N. The full InChI is InChI=1S/C24H39N5O2.C2H6/c1-2-25-21(14-17-7-4-3-5-8-17)24(31)29-12-6-9-22(29)23(30)26-15-18-10-11-20-19(13-18)16-27-28-20;1-2/h16-18,21-22,25H,2-15H2,1H3,(H,26,30)(H,27,28);1-2H3/t18?,21-,22?;/m1./s1.

What are the key properties of 1-[(2R)-3-cyclohexyl-2-(ethylamino)propanoyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-ylmethyl)pyrrolidine-2-carboxamide;ethane?

1-[(2R)-3-cyclohexyl-2-(ethylamino)propanoyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-ylmethyl)pyrrolidine-2-carboxamide;ethane has a molecular weight of 459.68 g/mol, XLogP of 3.60, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-3-cyclohexyl-2-(ethylamino)propanoyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-ylmethyl)pyrrolidine-2-carboxamide;ethane is sourced from PubChem (CID 142095860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).