bis(2,2,2-trifluoroacetic acid);N,N,2-trimethyl-3-propan-2-yl-5-(pyridin-3-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-carboxamide

C27H36F6N6O5 — CID 155831346

About bis(2,2,2-trifluoroacetic acid);N,N,2-trimethyl-3-propan-2-yl-5-(pyridin-3-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-carboxamide

bis(2,2,2-trifluoroacetic acid);N,N,2-trimethyl-3-propan-2-yl-5-(pyridin-3-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-carboxamide (PubChem CID 155831346) has the molecular formula C27H36F6N6O5 and a molecular weight of 638.61 g/mol. Its IUPAC name is bis(2,2,2-trifluoroacetic acid);N,N,2-trimethyl-3-propan-2-yl-5-(pyridin-3-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-carboxamide.

Molecular Properties

• Compound Name: bis(2,2,2-trifluoroacetic acid);N,N,2-trimethyl-3-propan-2-yl-5-(pyridin-3-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-carboxamide
• PubChem CID: 155831346
• Molecular Formula: C27H36F6N6O5
• Molecular Weight: 638.61 g/mol
• Exact Mass: 638.27
• IUPAC Name: bis(2,2,2-trifluoroacetic acid);N,N,2-trimethyl-3-propan-2-yl-5-(pyridin-3-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-carboxamide
• SMILES: Cc1nc2c(n1C(C)C)CN(Cc1cccnc1)CC21CCN(C(=O)N(C)C)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C23H34N6O.2C2HF3O2/c1-17(2)29-18(3)25-21-20(29)15-27(14-19-7-6-10-24-13-19)16-23(21)8-11-28(12-9-23)22(30)26(4)5;2*3-2(4,5)1(6)7/h6-7,10,13,17H,8-9,11-12,14-16H2,1-5H3;2*(H,6,7)
• InChIKey: GQXWXFJRCXOIQQ-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 132.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	638.61
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of bis(2,2,2-trifluoroacetic acid);N,N,2-trimethyl-3-propan-2-yl-5-(pyridin-3-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-carboxamide?

The IUPAC name of bis(2,2,2-trifluoroacetic acid);N,N,2-trimethyl-3-propan-2-yl-5-(pyridin-3-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-carboxamide (CID 155831346) is bis(2,2,2-trifluoroacetic acid);N,N,2-trimethyl-3-propan-2-yl-5-(pyridin-3-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-carboxamide.

What is the SMILES notation for bis(2,2,2-trifluoroacetic acid);N,N,2-trimethyl-3-propan-2-yl-5-(pyridin-3-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-carboxamide?

The canonical SMILES for bis(2,2,2-trifluoroacetic acid);N,N,2-trimethyl-3-propan-2-yl-5-(pyridin-3-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-carboxamide is Cc1nc2c(n1C(C)C)CN(Cc1cccnc1)CC21CCN(C(=O)N(C)C)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of bis(2,2,2-trifluoroacetic acid);N,N,2-trimethyl-3-propan-2-yl-5-(pyridin-3-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-carboxamide?

The InChIKey is GQXWXFJRCXOIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O.2C2HF3O2/c1-17(2)29-18(3)25-21-20(29)15-27(14-19-7-6-10-24-13-19)16-23(21)8-11-28(12-9-23)22(30)26(4)5;2*3-2(4,5)1(6)7/h6-7,10,13,17H,8-9,11-12,14-16H2,1-5H3;2*(H,6,7).

What are the key properties of bis(2,2,2-trifluoroacetic acid);N,N,2-trimethyl-3-propan-2-yl-5-(pyridin-3-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-carboxamide?

bis(2,2,2-trifluoroacetic acid);N,N,2-trimethyl-3-propan-2-yl-5-(pyridin-3-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-carboxamide has a molecular weight of 638.61 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2,2,2-trifluoroacetic acid);N,N,2-trimethyl-3-propan-2-yl-5-(pyridin-3-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 155831346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).