1'-[8-(1,5-naphthyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]

C27H24N6S — CID 146482560

About 1'-[8-(1,5-naphthyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]

1'-[8-(1,5-naphthyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine] (PubChem CID 146482560) has the molecular formula C27H24N6S and a molecular weight of 464.60 g/mol. Its IUPAC name is 1'-[8-(1,5-naphthyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine].

Molecular Properties

• Compound Name: 1'-[8-(1,5-naphthyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]
• PubChem CID: 146482560
• Molecular Formula: C27H24N6S
• Molecular Weight: 464.60 g/mol
• Exact Mass: 464.18
• IUPAC Name: 1'-[8-(1,5-naphthyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]
• SMILES: c1ccc2c(c1)CC1(CCN(c3ncc(Sc4ccnc5cccnc45)c4nccn34)CC1)C2
• InChI: InChI=1S/C27H24N6S/c1-2-5-20-17-27(16-19(20)4-1)8-13-32(14-9-27)26-31-18-23(25-30-12-15-33(25)26)34-22-7-11-28-21-6-3-10-29-24(21)22/h1-7,10-12,15,18H,8-9,13-14,16-17H2
• InChIKey: JLBLFCNIPOHURX-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 59.21 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.60
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1'-[8-(1,5-naphthyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]?

The IUPAC name of 1'-[8-(1,5-naphthyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine] (CID 146482560) is 1'-[8-(1,5-naphthyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine].

What is the SMILES notation for 1'-[8-(1,5-naphthyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]?

The canonical SMILES for 1'-[8-(1,5-naphthyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine] is c1ccc2c(c1)CC1(CCN(c3ncc(Sc4ccnc5cccnc45)c4nccn34)CC1)C2.

What is the InChIKey of 1'-[8-(1,5-naphthyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]?

The InChIKey is JLBLFCNIPOHURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6S/c1-2-5-20-17-27(16-19(20)4-1)8-13-32(14-9-27)26-31-18-23(25-30-12-15-33(25)26)34-22-7-11-28-21-6-3-10-29-24(21)22/h1-7,10-12,15,18H,8-9,13-14,16-17H2.

What are the key properties of 1'-[8-(1,5-naphthyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]?

1'-[8-(1,5-naphthyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine] has a molecular weight of 464.60 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[8-(1,5-naphthyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine] is sourced from PubChem (CID 146482560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).