(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-(fluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C₇₇H₈₂Cl₃FN₂₂OS₃ — CID 164977099

About (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-(fluoromethyl)imidazo[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]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-(fluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 164977099) has the molecular formula C₇₇H₈₂Cl₃FN₂₂OS₃ and a molecular weight of 1553.21 g/mol. Its IUPAC name is (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-(fluoromethyl)imidazo[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]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-(fluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
• PubChem CID: 164977099
• Molecular Formula: C₇₇H₈₂Cl₃FN₂₂OS₃
• Molecular Weight: 1553.21 g/mol
• Exact Mass: 1550.53
• IUPAC Name: (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-(fluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
• SMILES: COc1ccc2c(c1)[C@@H](N)C1(CCN(c3nc(C)c(Sc4ccnc(N)c4Cl)c4nc(C)cn34)CC1)C2.Cc1cn2c(N3CCC4(CC3)Cc3ncccc3[C@H]4N)nc(C)c(Sc3ccnc(N)c3Cl)c2n1.Nc1nccc(Sc2c(CF)nc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)n3ccnc23)c1Cl
• InChI: InChI=1S/C27H30ClN7OS.C25H25ClFN7S.C25H27ClN8S/c1-15-14-35-25(32-15)22(37-20-6-9-31-24(30)21(20)28)16(2)33-26(35)34-10-7-27(8-11-34)13-17-4-5-18(36-3)12-19(17)23(27)29;26-19-18(5-8-30-22(19)29)35-20-17(14-27)32-24(34-12-9-31-23(20)34)33-10-6-25(7-11-33)13-15-3-1-2-4-16(15)21(25)28;1-14-13-34-23(31-14)20(35-18-5-9-30-22(28)19(18)26)15(2)32-24(34)33-10-6-25(7-11-33)12-17-16(21(25)27)4-3-8-29-17/h4-6,9,12,14,23H,7-8,10-11,13,29H2,1-3H3,(H2,30,31);1-5,8-9,12,21H,6-7,10-11,13-14,28H2,(H2,29,30);3-5,8-9,13,21H,6-7,10-12,27H2,1-2H3,(H2,28,30)/t23-;2*21-/m111/s1
• InChIKey: DYCMIUOCSLALET-ZVPOCFAOSA-N
• XLogP: 14.17
• TPSA: 317.20 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 11
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1553.21
LogP ≤ 5	14.17
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-(fluoromethyl)imidazo[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]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-(fluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 164977099) is (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-(fluoromethyl)imidazo[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]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-(fluoromethyl)imidazo[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]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-(fluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is COc1ccc2c(c1)[C@@H](N)C1(CCN(c3nc(C)c(Sc4ccnc(N)c4Cl)c4nc(C)cn34)CC1)C2.Cc1cn2c(N3CCC4(CC3)Cc3ncccc3[C@H]4N)nc(C)c(Sc3ccnc(N)c3Cl)c2n1.Nc1nccc(Sc2c(CF)nc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)n3ccnc23)c1Cl.

What is the InChIKey of (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-(fluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

The InChIKey is DYCMIUOCSLALET-ZVPOCFAOSA-N. The full InChI is InChI=1S/C27H30ClN7OS.C25H25ClFN7S.C25H27ClN8S/c1-15-14-35-25(32-15)22(37-20-6-9-31-24(30)21(20)28)16(2)33-26(35)34-10-7-27(8-11-34)13-17-4-5-18(36-3)12-19(17)23(27)29;26-19-18(5-8-30-22(19)29)35-20-17(14-27)32-24(34-12-9-31-23(20)34)33-10-6-25(7-11-33)13-15-3-1-2-4-16(15)21(25)28;1-14-13-34-23(31-14)20(35-18-5-9-30-22(28)19(18)26)15(2)32-24(34)33-10-6-25(7-11-33)12-17-16(21(25)27)4-3-8-29-17/h4-6,9,12,14,23H,7-8,10-11,13,29H2,1-3H3,(H2,30,31);1-5,8-9,12,21H,6-7,10-11,13-14,28H2,(H2,29,30);3-5,8-9,13,21H,6-7,10-12,27H2,1-2H3,(H2,28,30)/t23-;2*21-/m111/s1.

What are the key properties of (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-(fluoromethyl)imidazo[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]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-(fluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 1553.21 g/mol, XLogP of 14.17, 11 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-(fluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 164977099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 164977099 — identifiers, structure, computed properties (public domain)

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