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

C28H32F6N6O4S — CID 155846933

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

3-(cyclopropylmethyl)-2-methyl-1'-pyrimidin-2-yl-5-(thiophen-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];bis(2,2,2-trifluoroacetic acid) (PubChem CID 155846933) has the molecular formula C28H32F6N6O4S and a molecular weight of 662.66 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-2-methyl-1'-pyrimidin-2-yl-5-(thiophen-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 3-(cyclopropylmethyl)-2-methyl-1'-pyrimidin-2-yl-5-(thiophen-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155846933
• Molecular Formula: C28H32F6N6O4S
• Molecular Weight: 662.66 g/mol
• Exact Mass: 662.21
• IUPAC Name: 3-(cyclopropylmethyl)-2-methyl-1'-pyrimidin-2-yl-5-(thiophen-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];bis(2,2,2-trifluoroacetic acid)
• SMILES: Cc1nc2c(n1CC1CC1)CN(Cc1cccs1)CC21CCN(c2ncccn2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C24H30N6S.2C2HF3O2/c1-18-27-22-21(30(18)14-19-5-6-19)16-28(15-20-4-2-13-31-20)17-24(22)7-11-29(12-8-24)23-25-9-3-10-26-23;2*3-2(4,5)1(6)7/h2-4,9-10,13,19H,5-8,11-12,14-17H2,1H3;2*(H,6,7)
• InChIKey: DHGDGNIVZXBTPW-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 124.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	662.66
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 3-(cyclopropylmethyl)-2-methyl-1'-pyrimidin-2-yl-5-(thiophen-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];bis(2,2,2-trifluoroacetic acid) (CID 155846933) is 3-(cyclopropylmethyl)-2-methyl-1'-pyrimidin-2-yl-5-(thiophen-2-ylmethyl)spiro[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-1'-pyrimidin-2-yl-5-(thiophen-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 3-(cyclopropylmethyl)-2-methyl-1'-pyrimidin-2-yl-5-(thiophen-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];bis(2,2,2-trifluoroacetic acid) is Cc1nc2c(n1CC1CC1)CN(Cc1cccs1)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-1'-pyrimidin-2-yl-5-(thiophen-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];bis(2,2,2-trifluoroacetic acid)?

The InChIKey is DHGDGNIVZXBTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6S.2C2HF3O2/c1-18-27-22-21(30(18)14-19-5-6-19)16-28(15-20-4-2-13-31-20)17-24(22)7-11-29(12-8-24)23-25-9-3-10-26-23;2*3-2(4,5)1(6)7/h2-4,9-10,13,19H,5-8,11-12,14-17H2,1H3;2*(H,6,7).

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

3-(cyclopropylmethyl)-2-methyl-1'-pyrimidin-2-yl-5-(thiophen-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];bis(2,2,2-trifluoroacetic acid) has a molecular weight of 662.66 g/mol, XLogP of 5.27, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(cyclopropylmethyl)-2-methyl-1'-pyrimidin-2-yl-5-(thiophen-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155846933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).