2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]quinolin-6-yl]propan-1-one;[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]quinolin-6-yl]methanamine

C63H69F6N11O5 — CID 158125968

About 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]quinolin-6-yl]propan-1-one;[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]quinolin-6-yl]methanamine

2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]quinolin-6-yl]propan-1-one;[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]quinolin-6-yl]methanamine (PubChem CID 158125968) has the molecular formula C63H69F6N11O5 and a molecular weight of 1174.30 g/mol. Its IUPAC name is 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]quinolin-6-yl]propan-1-one;[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]quinolin-6-yl]methanamine.

Molecular Properties

• Compound Name: 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]quinolin-6-yl]propan-1-one;[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]quinolin-6-yl]methanamine
• PubChem CID: 158125968
• Molecular Formula: C63H69F6N11O5
• Molecular Weight: 1174.30 g/mol
• Exact Mass: 1173.54
• IUPAC Name: 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]quinolin-6-yl]propan-1-one;[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]quinolin-6-yl]methanamine
• SMILES: CCc1nc2n(c1C(=O)CCc1ccc3nc(N4CCN(c5ccc(OC(F)(F)F)cc5)CC4)ccc3c1)CCCC2.CCc1nc2n(c1C(=O)O)CCCC2.NCc1ccc2nc(N3CCN(c4ccc(OC(F)(F)F)cc4)CC3)ccc2c1
• InChI: InChI=1S/C32H34F3N5O2.C21H21F3N4O.C10H14N2O2/c1-2-26-31(40-16-4-3-5-30(40)36-26)28(41)14-7-22-6-13-27-23(21-22)8-15-29(37-27)39-19-17-38(18-20-39)24-9-11-25(12-10-24)42-32(33,34)35;22-21(23,24)29-18-5-3-17(4-6-18)27-9-11-28(12-10-27)20-8-2-16-13-15(14-25)1-7-19(16)26-20;1-2-7-9(10(13)14)12-6-4-3-5-8(12)11-7/h6,8-13,15,21H,2-5,7,14,16-20H2,1H3;1-8,13H,9-12,14,25H2;2-6H2,1H3,(H,13,14)
• InChIKey: FSEGAQGVVAXXMR-UHFFFAOYSA-N
• XLogP: 11.77
• TPSA: 173.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1174.30
LogP ≤ 5	11.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]quinolin-6-yl]propan-1-one;[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]quinolin-6-yl]methanamine?

The IUPAC name of 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]quinolin-6-yl]propan-1-one;[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]quinolin-6-yl]methanamine (CID 158125968) is 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]quinolin-6-yl]propan-1-one;[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]quinolin-6-yl]methanamine.

What is the SMILES notation for 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]quinolin-6-yl]propan-1-one;[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]quinolin-6-yl]methanamine?

The canonical SMILES for 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]quinolin-6-yl]propan-1-one;[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]quinolin-6-yl]methanamine is CCc1nc2n(c1C(=O)CCc1ccc3nc(N4CCN(c5ccc(OC(F)(F)F)cc5)CC4)ccc3c1)CCCC2.CCc1nc2n(c1C(=O)O)CCCC2.NCc1ccc2nc(N3CCN(c4ccc(OC(F)(F)F)cc4)CC3)ccc2c1.

What is the InChIKey of 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]quinolin-6-yl]propan-1-one;[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]quinolin-6-yl]methanamine?

The InChIKey is FSEGAQGVVAXXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F3N5O2.C21H21F3N4O.C10H14N2O2/c1-2-26-31(40-16-4-3-5-30(40)36-26)28(41)14-7-22-6-13-27-23(21-22)8-15-29(37-27)39-19-17-38(18-20-39)24-9-11-25(12-10-24)42-32(33,34)35;22-21(23,24)29-18-5-3-17(4-6-18)27-9-11-28(12-10-27)20-8-2-16-13-15(14-25)1-7-19(16)26-20;1-2-7-9(10(13)14)12-6-4-3-5-8(12)11-7/h6,8-13,15,21H,2-5,7,14,16-20H2,1H3;1-8,13H,9-12,14,25H2;2-6H2,1H3,(H,13,14).

What are the key properties of 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]quinolin-6-yl]propan-1-one;[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]quinolin-6-yl]methanamine?

2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]quinolin-6-yl]propan-1-one;[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]quinolin-6-yl]methanamine has a molecular weight of 1174.30 g/mol, XLogP of 11.77, 14 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]quinolin-6-yl]propan-1-one;[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]quinolin-6-yl]methanamine is sourced from PubChem (CID 158125968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).