(5S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine

C25H24Cl2N6 — CID 146645425

About (5S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine

(5S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine (PubChem CID 146645425) has the molecular formula C25H24Cl2N6 and a molecular weight of 479.42 g/mol. Its IUPAC name is (5S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine.

Molecular Properties

• Compound Name: (5S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
• PubChem CID: 146645425
• Molecular Formula: C25H24Cl2N6
• Molecular Weight: 479.42 g/mol
• Exact Mass: 478.14
• IUPAC Name: (5S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
• SMILES: Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)n2ccnc2c1-c1cccc(Cl)c1Cl
• InChI: InChI=1S/C25H24Cl2N6/c1-15-20(17-4-2-6-18(26)21(17)27)23-30-10-13-33(23)24(31-15)32-11-7-25(8-12-32)14-19-16(22(25)28)5-3-9-29-19/h2-6,9-10,13,22H,7-8,11-12,14,28H2,1H3/t22-/m1/s1
• InChIKey: XTHVGHRFYGYNIW-JOCHJYFZSA-N
• XLogP: 5.25
• TPSA: 72.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.42
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (5S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?

The IUPAC name of (5S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine (CID 146645425) is (5S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine.

What is the SMILES notation for (5S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?

The canonical SMILES for (5S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine is Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)n2ccnc2c1-c1cccc(Cl)c1Cl.

What is the InChIKey of (5S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?

The InChIKey is XTHVGHRFYGYNIW-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H24Cl2N6/c1-15-20(17-4-2-6-18(26)21(17)27)23-30-10-13-33(23)24(31-15)32-11-7-25(8-12-32)14-19-16(22(25)28)5-3-9-29-19/h2-6,9-10,13,22H,7-8,11-12,14,28H2,1H3/t22-/m1/s1.

What are the key properties of (5S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?

(5S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine has a molecular weight of 479.42 g/mol, XLogP of 5.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine is sourced from PubChem (CID 146645425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).