3-(cyclopropylmethyl)-2-methyl-5-[(1-methylpyrazol-4-yl)methyl]-1'-pyrimidin-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];bis(2,2,2-trifluoroacetic acid)

C28H34F6N8O4 — CID 155826210

About 3-(cyclopropylmethyl)-2-methyl-5-[(1-methylpyrazol-4-yl)methyl]-1'-pyrimidin-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];bis(2,2,2-trifluoroacetic acid)

3-(cyclopropylmethyl)-2-methyl-5-[(1-methylpyrazol-4-yl)methyl]-1'-pyrimidin-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];bis(2,2,2-trifluoroacetic acid) (PubChem CID 155826210) has the molecular formula C28H34F6N8O4 and a molecular weight of 660.62 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-2-methyl-5-[(1-methylpyrazol-4-yl)methyl]-1'-pyrimidin-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 3-(cyclopropylmethyl)-2-methyl-5-[(1-methylpyrazol-4-yl)methyl]-1'-pyrimidin-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155826210
• Molecular Formula: C28H34F6N8O4
• Molecular Weight: 660.62 g/mol
• Exact Mass: 660.26
• IUPAC Name: 3-(cyclopropylmethyl)-2-methyl-5-[(1-methylpyrazol-4-yl)methyl]-1'-pyrimidin-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];bis(2,2,2-trifluoroacetic acid)
• SMILES: Cc1nc2c(n1CC1CC1)CN(Cc1cnn(C)c1)CC21CCN(c2ncccn2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C24H32N8.2C2HF3O2/c1-18-28-22-21(32(18)15-19-4-5-19)16-30(14-20-12-27-29(2)13-20)17-24(22)6-10-31(11-7-24)23-25-8-3-9-26-23;2*3-2(4,5)1(6)7/h3,8-9,12-13,19H,4-7,10-11,14-17H2,1-2H3;2*(H,6,7)
• InChIKey: HDSGDYLIEFUHHT-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 142.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	660.62
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-2-methyl-5-[(1-methylpyrazol-4-yl)methyl]-1'-pyrimidin-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 3-(cyclopropylmethyl)-2-methyl-5-[(1-methylpyrazol-4-yl)methyl]-1'-pyrimidin-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];bis(2,2,2-trifluoroacetic acid) (CID 155826210) is 3-(cyclopropylmethyl)-2-methyl-5-[(1-methylpyrazol-4-yl)methyl]-1'-pyrimidin-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 3-(cyclopropylmethyl)-2-methyl-5-[(1-methylpyrazol-4-yl)methyl]-1'-pyrimidin-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 3-(cyclopropylmethyl)-2-methyl-5-[(1-methylpyrazol-4-yl)methyl]-1'-pyrimidin-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];bis(2,2,2-trifluoroacetic acid) is Cc1nc2c(n1CC1CC1)CN(Cc1cnn(C)c1)CC21CCN(c2ncccn2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 3-(cyclopropylmethyl)-2-methyl-5-[(1-methylpyrazol-4-yl)methyl]-1'-pyrimidin-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];bis(2,2,2-trifluoroacetic acid)?

The InChIKey is HDSGDYLIEFUHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N8.2C2HF3O2/c1-18-28-22-21(32(18)15-19-4-5-19)16-30(14-20-12-27-29(2)13-20)17-24(22)6-10-31(11-7-24)23-25-8-3-9-26-23;2*3-2(4,5)1(6)7/h3,8-9,12-13,19H,4-7,10-11,14-17H2,1-2H3;2*(H,6,7).

What are the key properties of 3-(cyclopropylmethyl)-2-methyl-5-[(1-methylpyrazol-4-yl)methyl]-1'-pyrimidin-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];bis(2,2,2-trifluoroacetic acid)?

3-(cyclopropylmethyl)-2-methyl-5-[(1-methylpyrazol-4-yl)methyl]-1'-pyrimidin-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];bis(2,2,2-trifluoroacetic acid) has a molecular weight of 660.62 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(cyclopropylmethyl)-2-methyl-5-[(1-methylpyrazol-4-yl)methyl]-1'-pyrimidin-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155826210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).