N,N-dimethyl-2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetamide

C28H32F3N5O — CID 142594755

About N,N-dimethyl-2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetamide

N,N-dimethyl-2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetamide (PubChem CID 142594755) has the molecular formula C28H32F3N5O and a molecular weight of 511.59 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N,N-dimethyl-2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetamide
• PubChem CID: 142594755
• Molecular Formula: C28H32F3N5O
• Molecular Weight: 511.59 g/mol
• Exact Mass: 511.26
• IUPAC Name: N,N-dimethyl-2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetamide
• SMILES: CC(C)c1c(-c2cc(C(F)(F)F)c3nccn3c2)[nH]c2ccc(C3CCN(CC(=O)N(C)C)CC3)cc12
• InChI: InChI=1S/C28H32F3N5O/c1-17(2)25-21-13-19(18-7-10-35(11-8-18)16-24(37)34(3)4)5-6-23(21)33-26(25)20-14-22(28(29,30)31)27-32-9-12-36(27)15-20/h5-6,9,12-15,17-18,33H,7-8,10-11,16H2,1-4H3
• InChIKey: KGOLBXAOPRKGGI-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 56.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.59
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetamide?

The IUPAC name of N,N-dimethyl-2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetamide (CID 142594755) is N,N-dimethyl-2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetamide.

What is the SMILES notation for N,N-dimethyl-2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetamide?

The canonical SMILES for N,N-dimethyl-2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetamide is CC(C)c1c(-c2cc(C(F)(F)F)c3nccn3c2)[nH]c2ccc(C3CCN(CC(=O)N(C)C)CC3)cc12.

What is the InChIKey of N,N-dimethyl-2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetamide?

The InChIKey is KGOLBXAOPRKGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F3N5O/c1-17(2)25-21-13-19(18-7-10-35(11-8-18)16-24(37)34(3)4)5-6-23(21)33-26(25)20-14-22(28(29,30)31)27-32-9-12-36(27)15-20/h5-6,9,12-15,17-18,33H,7-8,10-11,16H2,1-4H3.

What are the key properties of N,N-dimethyl-2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetamide?

N,N-dimethyl-2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetamide has a molecular weight of 511.59 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 142594755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).