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

C26H27ClFN7S — CID 147184775

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

(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-(fluoromethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 147184775) has the molecular formula C26H27ClFN7S and a molecular weight of 524.07 g/mol. Its IUPAC name is (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-(fluoromethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

• Compound Name: (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-(fluoromethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
• PubChem CID: 147184775
• Molecular Formula: C26H27ClFN7S
• Molecular Weight: 524.07 g/mol
• Exact Mass: 523.17
• IUPAC Name: (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-(fluoromethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
• SMILES: Cc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2cc(CF)nc2c1Sc1ccnc(N)c1Cl
• InChI: InChI=1S/C26H27ClFN7S/c1-15-21(36-19-6-9-31-23(30)20(19)27)24-33-17(13-28)14-35(24)25(32-15)34-10-7-26(8-11-34)12-16-4-2-3-5-18(16)22(26)29/h2-6,9,14,22H,7-8,10-13,29H2,1H3,(H2,30,31)/t22-/m1/s1
• InChIKey: CAGOJRHPDBDACY-JOCHJYFZSA-N
• XLogP: 5.13
• TPSA: 98.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.07
LogP ≤ 5	5.13
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]-2-(fluoromethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

The IUPAC name of (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-(fluoromethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 147184775) is (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-(fluoromethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

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

The canonical SMILES for (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-(fluoromethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is Cc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2cc(CF)nc2c1Sc1ccnc(N)c1Cl.

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

The InChIKey is CAGOJRHPDBDACY-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H27ClFN7S/c1-15-21(36-19-6-9-31-23(30)20(19)27)24-33-17(13-28)14-35(24)25(32-15)34-10-7-26(8-11-34)12-16-4-2-3-5-18(16)22(26)29/h2-6,9,14,22H,7-8,10-13,29H2,1H3,(H2,30,31)/t22-/m1/s1.

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

(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-(fluoromethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 524.07 g/mol, XLogP of 5.13, 4 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]-2-(fluoromethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 147184775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).