2-methyl-1'-(2-methylpropyl)-3-propan-2-yl-5-[(1-propan-2-ylpyrazol-4-yl)methyl]spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];bis(2,2,2-trifluoroacetic acid)

C29H44F6N6O4 — CID 155832839

About 2-methyl-1'-(2-methylpropyl)-3-propan-2-yl-5-[(1-propan-2-ylpyrazol-4-yl)methyl]spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];bis(2,2,2-trifluoroacetic acid)

2-methyl-1'-(2-methylpropyl)-3-propan-2-yl-5-[(1-propan-2-ylpyrazol-4-yl)methyl]spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];bis(2,2,2-trifluoroacetic acid) (PubChem CID 155832839) has the molecular formula C29H44F6N6O4 and a molecular weight of 654.70 g/mol. Its IUPAC name is 2-methyl-1'-(2-methylpropyl)-3-propan-2-yl-5-[(1-propan-2-ylpyrazol-4-yl)methyl]spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 2-methyl-1'-(2-methylpropyl)-3-propan-2-yl-5-[(1-propan-2-ylpyrazol-4-yl)methyl]spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155832839
• Molecular Formula: C29H44F6N6O4
• Molecular Weight: 654.70 g/mol
• Exact Mass: 654.33
• IUPAC Name: 2-methyl-1'-(2-methylpropyl)-3-propan-2-yl-5-[(1-propan-2-ylpyrazol-4-yl)methyl]spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];bis(2,2,2-trifluoroacetic acid)
• SMILES: Cc1nc2c(n1C(C)C)CN(Cc1cnn(C(C)C)c1)CC21CCN(CC(C)C)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C25H42N6.2C2HF3O2/c1-18(2)13-28-10-8-25(9-11-28)17-29(14-22-12-26-30(15-22)19(3)4)16-23-24(25)27-21(7)31(23)20(5)6;2*3-2(4,5)1(6)7/h12,15,18-20H,8-11,13-14,16-17H2,1-7H3;2*(H,6,7)
• InChIKey: ZFZFDLJHBZCHGK-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 116.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	654.70
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-methyl-1'-(2-methylpropyl)-3-propan-2-yl-5-[(1-propan-2-ylpyrazol-4-yl)methyl]spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];bis(2,2,2-trifluoroacetic acid) (CID 155832839) is 2-methyl-1'-(2-methylpropyl)-3-propan-2-yl-5-[(1-propan-2-ylpyrazol-4-yl)methyl]spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];bis(2,2,2-trifluoroacetic acid).

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

The canonical SMILES for 2-methyl-1'-(2-methylpropyl)-3-propan-2-yl-5-[(1-propan-2-ylpyrazol-4-yl)methyl]spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];bis(2,2,2-trifluoroacetic acid) is Cc1nc2c(n1C(C)C)CN(Cc1cnn(C(C)C)c1)CC21CCN(CC(C)C)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 2-methyl-1'-(2-methylpropyl)-3-propan-2-yl-5-[(1-propan-2-ylpyrazol-4-yl)methyl]spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];bis(2,2,2-trifluoroacetic acid)?

The InChIKey is ZFZFDLJHBZCHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N6.2C2HF3O2/c1-18(2)13-28-10-8-25(9-11-28)17-29(14-22-12-26-30(15-22)19(3)4)16-23-24(25)27-21(7)31(23)20(5)6;2*3-2(4,5)1(6)7/h12,15,18-20H,8-11,13-14,16-17H2,1-7H3;2*(H,6,7).

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

2-methyl-1'-(2-methylpropyl)-3-propan-2-yl-5-[(1-propan-2-ylpyrazol-4-yl)methyl]spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];bis(2,2,2-trifluoroacetic acid) has a molecular weight of 654.70 g/mol, XLogP of 5.82, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-1'-(2-methylpropyl)-3-propan-2-yl-5-[(1-propan-2-ylpyrazol-4-yl)methyl]spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155832839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).