(3S,4S)-8-[8-(2-bromo-3-chlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;1-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine;(3S,4S)-8-[8-(2,3-dichloro-6-fluorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[7-(trifluoromethyl)-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine

C103H111BrCl5F9N28O3S3 — CID 163415487

About (3S,4S)-8-[8-(2-bromo-3-chlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;1-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine;(3S,4S)-8-[8-(2,3-dichloro-6-fluorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[7-(trifluoromethyl)-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine

(3S,4S)-8-[8-(2-bromo-3-chlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;1-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine;(3S,4S)-8-[8-(2,3-dichloro-6-fluorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[7-(trifluoromethyl)-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine (PubChem CID 163415487) has the molecular formula C103H111BrCl5F9N28O3S3 and a molecular weight of 2313.57 g/mol. Its IUPAC name is (3S,4S)-8-[8-(2-bromo-3-chlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;1-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine;(3S,4S)-8-[8-(2,3-dichloro-6-fluorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[7-(trifluoromethyl)-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

• Compound Name: (3S,4S)-8-[8-(2-bromo-3-chlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;1-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine;(3S,4S)-8-[8-(2,3-dichloro-6-fluorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[7-(trifluoromethyl)-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
• PubChem CID: 163415487
• Molecular Formula: C103H111BrCl5F9N28O3S3
• Molecular Weight: 2313.57 g/mol
• Exact Mass: 2308.60
• IUPAC Name: (3S,4S)-8-[8-(2-bromo-3-chlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;1-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine;(3S,4S)-8-[8-(2,3-dichloro-6-fluorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[7-(trifluoromethyl)-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
• SMILES: CC1(N)CCN(c2ncc(Sc3ccnc(F)c3Cl)c3nccn23)CC1.C[C@@H]1OCC2(CCN(c3nc(C(F)(F)F)c(Sc4cccnc4C(F)(F)F)c4nccn34)CC2)[C@@H]1N.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2ccnc2c1-c1c(F)ccc(Cl)c1Cl.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2ccnc2c1-c1cccc(Cl)c1Br.N[C@@H]1CCCC12CCN(c1ncc(Sc3ccnc(F)c3Cl)c3nccn13)CC2
• InChI: InChI=1S/C22H25BrClN5O.C22H24Cl2FN5O.C22H22F6N6OS.C20H22ClFN6S.C17H18ClFN6S/c1-13-17(15-4-3-5-16(24)18(15)23)20-26-8-11-29(20)21(27-13)28-9-6-22(7-10-28)12-30-14(2)19(22)25;1-12-16(17-15(25)4-3-14(23)18(17)24)20-27-7-10-30(20)21(28-12)29-8-5-22(6-9-29)11-31-13(2)19(22)26;1-12-15(29)20(11-35-12)4-8-33(9-5-20)19-32-17(22(26,27)28)14(18-31-7-10-34(18)19)36-13-3-2-6-30-16(13)21(23,24)25;21-16-13(3-7-24-17(16)22)29-14-12-26-19(28-11-8-25-18(14)28)27-9-5-20(6-10-27)4-1-2-15(20)23;1-17(20)3-7-24(8-4-17)16-23-10-12(15-22-6-9-25(15)16)26-11-2-5-21-14(19)13(11)18/h3-5,8,11,14,19H,6-7,9-10,12,25H2,1-2H3;3-4,7,10,13,19H,5-6,8-9,11,26H2,1-2H3;2-3,6-7,10,12,15H,4-5,8-9,11,29H2,1H3;3,7-8,11-12,15H,1-2,4-6,9-10,23H2;2,5-6,9-10H,3-4,7-8,20H2,1H3/t14-,19+;13-,19+;12-,15+;15-;/m0001./s1
• InChIKey: AEAFCFIYTSXYIB-DMVORMGTSA-N
• XLogP: 21.13
• TPSA: 363.61 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 13
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2313.57
LogP ≤ 5	21.13
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-8-[8-(2-bromo-3-chlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;1-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine;(3S,4S)-8-[8-(2,3-dichloro-6-fluorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[7-(trifluoromethyl)-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine?

The IUPAC name of (3S,4S)-8-[8-(2-bromo-3-chlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;1-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine;(3S,4S)-8-[8-(2,3-dichloro-6-fluorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[7-(trifluoromethyl)-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine (CID 163415487) is (3S,4S)-8-[8-(2-bromo-3-chlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;1-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine;(3S,4S)-8-[8-(2,3-dichloro-6-fluorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[7-(trifluoromethyl)-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine.

What is the SMILES notation for (3S,4S)-8-[8-(2-bromo-3-chlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;1-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine;(3S,4S)-8-[8-(2,3-dichloro-6-fluorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[7-(trifluoromethyl)-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine?

The canonical SMILES for (3S,4S)-8-[8-(2-bromo-3-chlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;1-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine;(3S,4S)-8-[8-(2,3-dichloro-6-fluorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[7-(trifluoromethyl)-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine is CC1(N)CCN(c2ncc(Sc3ccnc(F)c3Cl)c3nccn23)CC1.C[C@@H]1OCC2(CCN(c3nc(C(F)(F)F)c(Sc4cccnc4C(F)(F)F)c4nccn34)CC2)[C@@H]1N.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2ccnc2c1-c1c(F)ccc(Cl)c1Cl.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2ccnc2c1-c1cccc(Cl)c1Br.N[C@@H]1CCCC12CCN(c1ncc(Sc3ccnc(F)c3Cl)c3nccn13)CC2.

What is the InChIKey of (3S,4S)-8-[8-(2-bromo-3-chlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;1-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine;(3S,4S)-8-[8-(2,3-dichloro-6-fluorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[7-(trifluoromethyl)-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine?

The InChIKey is AEAFCFIYTSXYIB-DMVORMGTSA-N. The full InChI is InChI=1S/C22H25BrClN5O.C22H24Cl2FN5O.C22H22F6N6OS.C20H22ClFN6S.C17H18ClFN6S/c1-13-17(15-4-3-5-16(24)18(15)23)20-26-8-11-29(20)21(27-13)28-9-6-22(7-10-28)12-30-14(2)19(22)25;1-12-16(17-15(25)4-3-14(23)18(17)24)20-27-7-10-30(20)21(28-12)29-8-5-22(6-9-29)11-31-13(2)19(22)26;1-12-15(29)20(11-35-12)4-8-33(9-5-20)19-32-17(22(26,27)28)14(18-31-7-10-34(18)19)36-13-3-2-6-30-16(13)21(23,24)25;21-16-13(3-7-24-17(16)22)29-14-12-26-19(28-11-8-25-18(14)28)27-9-5-20(6-10-27)4-1-2-15(20)23;1-17(20)3-7-24(8-4-17)16-23-10-12(15-22-6-9-25(15)16)26-11-2-5-21-14(19)13(11)18/h3-5,8,11,14,19H,6-7,9-10,12,25H2,1-2H3;3-4,7,10,13,19H,5-6,8-9,11,26H2,1-2H3;2-3,6-7,10,12,15H,4-5,8-9,11,29H2,1H3;3,7-8,11-12,15H,1-2,4-6,9-10,23H2;2,5-6,9-10H,3-4,7-8,20H2,1H3/t14-,19+;13-,19+;12-,15+;15-;/m0001./s1.

What are the key properties of (3S,4S)-8-[8-(2-bromo-3-chlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;1-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine;(3S,4S)-8-[8-(2,3-dichloro-6-fluorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[7-(trifluoromethyl)-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine?

(3S,4S)-8-[8-(2-bromo-3-chlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;1-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine;(3S,4S)-8-[8-(2,3-dichloro-6-fluorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[7-(trifluoromethyl)-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine has a molecular weight of 2313.57 g/mol, XLogP of 21.13, 13 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4S)-8-[8-(2-bromo-3-chlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;1-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine;(3S,4S)-8-[8-(2,3-dichloro-6-fluorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[7-(trifluoromethyl)-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 163415487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).