2-chloro-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-N-(2,2,2-trifluoroethyl)benzamide

C32H32ClF3N4O2 — CID 59505407

About 2-chloro-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-N-(2,2,2-trifluoroethyl)benzamide

2-chloro-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 59505407) has the molecular formula C32H32ClF3N4O2 and a molecular weight of 597.08 g/mol. Its IUPAC name is 2-chloro-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-N-(2,2,2-trifluoroethyl)benzamide
• PubChem CID: 59505407
• Molecular Formula: C32H32ClF3N4O2
• Molecular Weight: 597.08 g/mol
• Exact Mass: 596.22
• IUPAC Name: 2-chloro-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-N-(2,2,2-trifluoroethyl)benzamide
• SMILES: O=C(c1ccc2c(c1)[C@H](N(CC(F)(F)F)C(=O)c1ccccc1Cl)CC2)N1CCC2(CCN(c3ccncc3)CC2)C1
• InChI: InChI=1S/C32H32ClF3N4O2/c33-27-4-2-1-3-25(27)30(42)40(21-32(34,35)36)28-8-7-22-5-6-23(19-26(22)28)29(41)39-18-13-31(20-39)11-16-38(17-12-31)24-9-14-37-15-10-24/h1-6,9-10,14-15,19,28H,7-8,11-13,16-18,20-21H2/t28-/m1/s1
• InChIKey: JVBWPUZSCUKGGX-MUUNZHRXSA-N
• XLogP: 6.56
• TPSA: 56.75 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	597.08
LogP ≤ 5	6.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-N-(2,2,2-trifluoroethyl)benzamide?

The IUPAC name of 2-chloro-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-N-(2,2,2-trifluoroethyl)benzamide (CID 59505407) is 2-chloro-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-N-(2,2,2-trifluoroethyl)benzamide.

What is the SMILES notation for 2-chloro-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-N-(2,2,2-trifluoroethyl)benzamide?

The canonical SMILES for 2-chloro-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-N-(2,2,2-trifluoroethyl)benzamide is O=C(c1ccc2c(c1)[C@H](N(CC(F)(F)F)C(=O)c1ccccc1Cl)CC2)N1CCC2(CCN(c3ccncc3)CC2)C1.

What is the InChIKey of 2-chloro-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-N-(2,2,2-trifluoroethyl)benzamide?

The InChIKey is JVBWPUZSCUKGGX-MUUNZHRXSA-N. The full InChI is InChI=1S/C32H32ClF3N4O2/c33-27-4-2-1-3-25(27)30(42)40(21-32(34,35)36)28-8-7-22-5-6-23(19-26(22)28)29(41)39-18-13-31(20-39)11-16-38(17-12-31)24-9-14-37-15-10-24/h1-6,9-10,14-15,19,28H,7-8,11-13,16-18,20-21H2/t28-/m1/s1.

What are the key properties of 2-chloro-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-N-(2,2,2-trifluoroethyl)benzamide?

2-chloro-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 597.08 g/mol, XLogP of 6.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 59505407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).