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

C25H25ClFN7S — CID 152786921

About (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-6-fluorospiro[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]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 152786921) has the molecular formula C25H25ClFN7S and a molecular weight of 510.04 g/mol. Its IUPAC name is (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-6-fluorospiro[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]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
• PubChem CID: 152786921
• Molecular Formula: C25H25ClFN7S
• Molecular Weight: 510.04 g/mol
• Exact Mass: 509.16
• IUPAC Name: (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
• SMILES: Cc1nc(N2CCC3(CC2)Cc2ccc(F)cc2[C@H]3N)n2ccnc2c1Sc1ccnc(N)c1Cl
• InChI: InChI=1S/C25H25ClFN7S/c1-14-20(35-18-4-7-30-22(29)19(18)26)23-31-8-11-34(23)24(32-14)33-9-5-25(6-10-33)13-15-2-3-16(27)12-17(15)21(25)28/h2-4,7-8,11-12,21H,5-6,9-10,13,28H2,1H3,(H2,29,30)/t21-/m1/s1
• InChIKey: RYSPNMPYVUYGDQ-OAQYLSRUSA-N
• XLogP: 4.80
• TPSA: 98.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.04
LogP ≤ 5	4.80
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]-6-fluorospiro[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]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 152786921) is (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-6-fluorospiro[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]-6-fluorospiro[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]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is Cc1nc(N2CCC3(CC2)Cc2ccc(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]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

The InChIKey is RYSPNMPYVUYGDQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H25ClFN7S/c1-14-20(35-18-4-7-30-22(29)19(18)26)23-31-8-11-34(23)24(32-14)33-9-5-25(6-10-33)13-15-2-3-16(27)12-17(15)21(25)28/h2-4,7-8,11-12,21H,5-6,9-10,13,28H2,1H3,(H2,29,30)/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]-6-fluorospiro[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]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 510.04 g/mol, XLogP of 4.80, 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]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 152786921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).