2-ethyl-6-(trifluoromethyl)-N-[[4-[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide

C25H22F6N6O — CID 176613992

About 2-ethyl-6-(trifluoromethyl)-N-[[4-[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide

2-ethyl-6-(trifluoromethyl)-N-[[4-[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide (PubChem CID 176613992) has the molecular formula C25H22F6N6O and a molecular weight of 536.48 g/mol. Its IUPAC name is 2-ethyl-6-(trifluoromethyl)-N-[[4-[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-ethyl-6-(trifluoromethyl)-N-[[4-[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
• PubChem CID: 176613992
• Molecular Formula: C25H22F6N6O
• Molecular Weight: 536.48 g/mol
• Exact Mass: 536.18
• IUPAC Name: 2-ethyl-6-(trifluoromethyl)-N-[[4-[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
• SMILES: CCc1nc2ncc(C(F)(F)F)cn2c1C(=O)NCc1ccc(-c2cn3c(n2)C[C@H](C(F)(F)F)CC3)cc1
• InChI: InChI=1S/C25H22F6N6O/c1-2-18-21(37-12-17(25(29,30)31)11-33-23(37)35-18)22(38)32-10-14-3-5-15(6-4-14)19-13-36-8-7-16(24(26,27)28)9-20(36)34-19/h3-6,11-13,16H,2,7-10H2,1H3,(H,32,38)/t16-/m1/s1
• InChIKey: PYKAXHSJWKQKNR-MRXNPFEDSA-N
• XLogP: 5.23
• TPSA: 77.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.48
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(trifluoromethyl)-N-[[4-[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide?

The IUPAC name of 2-ethyl-6-(trifluoromethyl)-N-[[4-[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide (CID 176613992) is 2-ethyl-6-(trifluoromethyl)-N-[[4-[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 2-ethyl-6-(trifluoromethyl)-N-[[4-[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide?

The canonical SMILES for 2-ethyl-6-(trifluoromethyl)-N-[[4-[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide is CCc1nc2ncc(C(F)(F)F)cn2c1C(=O)NCc1ccc(-c2cn3c(n2)C[C@H](C(F)(F)F)CC3)cc1.

What is the InChIKey of 2-ethyl-6-(trifluoromethyl)-N-[[4-[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide?

The InChIKey is PYKAXHSJWKQKNR-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H22F6N6O/c1-2-18-21(37-12-17(25(29,30)31)11-33-23(37)35-18)22(38)32-10-14-3-5-15(6-4-14)19-13-36-8-7-16(24(26,27)28)9-20(36)34-19/h3-6,11-13,16H,2,7-10H2,1H3,(H,32,38)/t16-/m1/s1.

What are the key properties of 2-ethyl-6-(trifluoromethyl)-N-[[4-[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide?

2-ethyl-6-(trifluoromethyl)-N-[[4-[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 536.48 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-6-(trifluoromethyl)-N-[[4-[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 176613992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).