3-chloro-4-[5-(5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine

C24H22ClFN6S — CID 155129578

About 3-chloro-4-[5-(5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine

3-chloro-4-[5-(5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine (PubChem CID 155129578) has the molecular formula C24H22ClFN6S and a molecular weight of 481.00 g/mol. Its IUPAC name is 3-chloro-4-[5-(5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine.

Molecular Properties

• Compound Name: 3-chloro-4-[5-(5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine
• PubChem CID: 155129578
• Molecular Formula: C24H22ClFN6S
• Molecular Weight: 481.00 g/mol
• Exact Mass: 480.13
• IUPAC Name: 3-chloro-4-[5-(5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine
• SMILES: Nc1nccc(Sc2cnc(N3CCC4(CC3)Cc3ccc(F)cc3C4)n3ccnc23)c1Cl
• InChI: InChI=1S/C24H22ClFN6S/c25-20-18(3-6-28-21(20)27)33-19-14-30-23(32-10-7-29-22(19)32)31-8-4-24(5-9-31)12-15-1-2-17(26)11-16(15)13-24/h1-3,6-7,10-11,14H,4-5,8-9,12-13H2,(H2,27,28)
• InChIKey: VZNVCIHBAIYSJA-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 72.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.00
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[5-(5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine?

The IUPAC name of 3-chloro-4-[5-(5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine (CID 155129578) is 3-chloro-4-[5-(5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine.

What is the SMILES notation for 3-chloro-4-[5-(5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine?

The canonical SMILES for 3-chloro-4-[5-(5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine is Nc1nccc(Sc2cnc(N3CCC4(CC3)Cc3ccc(F)cc3C4)n3ccnc23)c1Cl.

What is the InChIKey of 3-chloro-4-[5-(5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine?

The InChIKey is VZNVCIHBAIYSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN6S/c25-20-18(3-6-28-21(20)27)33-19-14-30-23(32-10-7-29-22(19)32)31-8-4-24(5-9-31)12-15-1-2-17(26)11-16(15)13-24/h1-3,6-7,10-11,14H,4-5,8-9,12-13H2,(H2,27,28).

What are the key properties of 3-chloro-4-[5-(5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine?

3-chloro-4-[5-(5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine has a molecular weight of 481.00 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-4-[5-(5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine is sourced from PubChem (CID 155129578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).