(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5,6-difluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C25H24ClF2N7S — CID 150618791

About (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5,6-difluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5,6-difluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 150618791) has the molecular formula C25H24ClF2N7S and a molecular weight of 528.03 g/mol. Its IUPAC name is (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5,6-difluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

• Compound Name: (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5,6-difluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
• PubChem CID: 150618791
• Molecular Formula: C25H24ClF2N7S
• Molecular Weight: 528.03 g/mol
• Exact Mass: 527.15
• IUPAC Name: (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5,6-difluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
• SMILES: Cc1nc(N2CCC3(CC2)Cc2cc(F)c(F)cc2[C@H]3N)n2ccnc2c1Sc1ccnc(N)c1Cl
• InChI: InChI=1S/C25H24ClF2N7S/c1-13-20(36-18-2-5-31-22(30)19(18)26)23-32-6-9-35(23)24(33-13)34-7-3-25(4-8-34)12-14-10-16(27)17(28)11-15(14)21(25)29/h2,5-6,9-11,21H,3-4,7-8,12,29H2,1H3,(H2,30,31)/t21-/m1/s1
• InChIKey: IVLLOZROCSKOLH-OAQYLSRUSA-N
• XLogP: 4.94
• TPSA: 98.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.03
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5,6-difluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

The IUPAC name of (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5,6-difluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 150618791) is (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5,6-difluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

What is the SMILES notation for (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5,6-difluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

The canonical SMILES for (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5,6-difluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is Cc1nc(N2CCC3(CC2)Cc2cc(F)c(F)cc2[C@H]3N)n2ccnc2c1Sc1ccnc(N)c1Cl.

What is the InChIKey of (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5,6-difluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

The InChIKey is IVLLOZROCSKOLH-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H24ClF2N7S/c1-13-20(36-18-2-5-31-22(30)19(18)26)23-32-6-9-35(23)24(33-13)34-7-3-25(4-8-34)12-14-10-16(27)17(28)11-15(14)21(25)29/h2,5-6,9-11,21H,3-4,7-8,12,29H2,1H3,(H2,30,31)/t21-/m1/s1.

What are the key properties of (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5,6-difluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5,6-difluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 528.03 g/mol, XLogP of 4.94, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5,6-difluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 150618791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).