N-[(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide

C27H31ClN8OS2 — CID 167295008

About N-[(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide

N-[(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide (PubChem CID 167295008) has the molecular formula C27H31ClN8OS2 and a molecular weight of 583.19 g/mol. Its IUPAC name is N-[(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

• Compound Name: N-[(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide
• PubChem CID: 167295008
• Molecular Formula: C27H31ClN8OS2
• Molecular Weight: 583.19 g/mol
• Exact Mass: 582.18
• IUPAC Name: N-[(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide
• SMILES: CC(C)(C)S(=O)N[C@@H]1c2cccnc2CC12CCN(c1ncc(Sc3ccnc(N)c3Cl)c3nccn13)CC2
• InChI: InChI=1S/C27H31ClN8OS2/c1-26(2,3)39(37)34-22-17-5-4-9-30-18(17)15-27(22)7-12-35(13-8-27)25-33-16-20(24-32-11-14-36(24)25)38-19-6-10-31-23(29)21(19)28/h4-6,9-11,14,16,22,34H,7-8,12-13,15H2,1-3H3,(H2,29,31)/t22-,39?/m1/s1
• InChIKey: ACYRXAGGRWBVJI-DJHKVZLPSA-N
• XLogP: 4.84
• TPSA: 114.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	583.19
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide?

The IUPAC name of N-[(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide (CID 167295008) is N-[(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide.

What is the SMILES notation for N-[(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide?

The canonical SMILES for N-[(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N[C@@H]1c2cccnc2CC12CCN(c1ncc(Sc3ccnc(N)c3Cl)c3nccn13)CC2.

What is the InChIKey of N-[(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide?

The InChIKey is ACYRXAGGRWBVJI-DJHKVZLPSA-N. The full InChI is InChI=1S/C27H31ClN8OS2/c1-26(2,3)39(37)34-22-17-5-4-9-30-18(17)15-27(22)7-12-35(13-8-27)25-33-16-20(24-32-11-14-36(24)25)38-19-6-10-31-23(29)21(19)28/h4-6,9-11,14,16,22,34H,7-8,12-13,15H2,1-3H3,(H2,29,31)/t22-,39?/m1/s1.

What are the key properties of N-[(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide?

N-[(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 583.19 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 167295008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).