(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(4R)-2,2-difluoro-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-2-methyl-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine

C109H125Cl2F13N32OS5 — CID 164959999

About (4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(4R)-2,2-difluoro-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-2-methyl-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine

(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(4R)-2,2-difluoro-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-2-methyl-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine (PubChem CID 164959999) has the molecular formula C109H125Cl2F13N32OS5 and a molecular weight of 2377.64 g/mol. Its IUPAC name is (4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(4R)-2,2-difluoro-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-2-methyl-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[7-methyl-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: (4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(4R)-2,2-difluoro-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-2-methyl-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
• PubChem CID: 164959999
• Molecular Formula: C109H125Cl2F13N32OS5
• Molecular Weight: 2377.64 g/mol
• Exact Mass: 2374.85
• IUPAC Name: (4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(4R)-2,2-difluoro-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-2-methyl-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
• SMILES: Cc1nc(N2CCC3(CC2)CC(C)C[C@H]3N)n2ccnc2c1Sc1cccnc1C(F)(F)F.Cc1nc(N2CCC3(CC2)CC(C)C[C@H]3N)n2ccnc2c1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)CC(F)(F)C[C@H]3N)n2ccnc2c1Sc1cccnc1C(F)(F)F.Cc1nc(N2CCC3(CC2)CC(F)(F)C[C@H]3N)n2ccnc2c1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)COC[C@H]3N)n2ccnc2c1Sc1cccnc1C(F)(F)F
• InChI: InChI=1S/C23H27F3N6S.C22H28ClN7S.C22H23F5N6S.C21H24ClF2N7S.C21H23F3N6OS/c1-14-12-17(27)22(13-14)5-9-31(10-6-22)21-30-15(2)18(20-29-8-11-32(20)21)33-16-4-3-7-28-19(16)23(24,25)26;1-13-11-16(24)22(12-13)4-8-29(9-5-22)21-28-14(2)18(20-27-7-10-30(20)21)31-15-3-6-26-19(25)17(15)23;1-13-16(34-14-3-2-6-29-17(14)22(25,26)27)18-30-7-10-33(18)19(31-13)32-8-4-20(5-9-32)12-21(23,24)11-15(20)28;1-12-16(32-13-2-5-27-17(26)15(13)22)18-28-6-9-31(18)19(29-12)30-7-3-20(4-8-30)11-21(23,24)10-14(20)25;1-13-16(32-14-3-2-6-26-17(14)21(22,23)24)18-27-7-10-30(18)19(28-13)29-8-4-20(5-9-29)12-31-11-15(20)25/h3-4,7-8,11,14,17H,5-6,9-10,12-13,27H2,1-2H3;3,6-7,10,13,16H,4-5,8-9,11-12,24H2,1-2H3,(H2,25,26);2-3,6-7,10,15H,4-5,8-9,11-12,28H2,1H3;2,5-6,9,14H,3-4,7-8,10-11,25H2,1H3,(H2,26,27);2-3,6-7,10,15H,4-5,8-9,11-12,25H2,1H3/t14?,17-;13?,16-;15-;14-;15-/m11111/s1
• InChIKey: BSBKPZNBWPQRFA-YATAQLOASA-N
• XLogP: 21.76
• TPSA: 422.97 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 38
• Rotatable Bonds: 15
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2377.64
LogP ≤ 5	21.76
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of (4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(4R)-2,2-difluoro-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-2-methyl-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[7-methyl-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 (4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(4R)-2,2-difluoro-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-2-methyl-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine (CID 164959999) is (4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(4R)-2,2-difluoro-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-2-methyl-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[7-methyl-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 (4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(4R)-2,2-difluoro-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-2-methyl-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[7-methyl-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 (4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(4R)-2,2-difluoro-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-2-methyl-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine is Cc1nc(N2CCC3(CC2)CC(C)C[C@H]3N)n2ccnc2c1Sc1cccnc1C(F)(F)F.Cc1nc(N2CCC3(CC2)CC(C)C[C@H]3N)n2ccnc2c1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)CC(F)(F)C[C@H]3N)n2ccnc2c1Sc1cccnc1C(F)(F)F.Cc1nc(N2CCC3(CC2)CC(F)(F)C[C@H]3N)n2ccnc2c1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)COC[C@H]3N)n2ccnc2c1Sc1cccnc1C(F)(F)F.

What is the InChIKey of (4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(4R)-2,2-difluoro-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-2-methyl-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[7-methyl-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 BSBKPZNBWPQRFA-YATAQLOASA-N. The full InChI is InChI=1S/C23H27F3N6S.C22H28ClN7S.C22H23F5N6S.C21H24ClF2N7S.C21H23F3N6OS/c1-14-12-17(27)22(13-14)5-9-31(10-6-22)21-30-15(2)18(20-29-8-11-32(20)21)33-16-4-3-7-28-19(16)23(24,25)26;1-13-11-16(24)22(12-13)4-8-29(9-5-22)21-28-14(2)18(20-27-7-10-30(20)21)31-15-3-6-26-19(25)17(15)23;1-13-16(34-14-3-2-6-29-17(14)22(25,26)27)18-30-7-10-33(18)19(31-13)32-8-4-20(5-9-32)12-21(23,24)11-15(20)28;1-12-16(32-13-2-5-27-17(26)15(13)22)18-28-6-9-31(18)19(29-12)30-7-3-20(4-8-30)11-21(23,24)10-14(20)25;1-13-16(32-14-3-2-6-26-17(14)21(22,23)24)18-27-7-10-30(18)19(28-13)29-8-4-20(5-9-29)12-31-11-15(20)25/h3-4,7-8,11,14,17H,5-6,9-10,12-13,27H2,1-2H3;3,6-7,10,13,16H,4-5,8-9,11-12,24H2,1-2H3,(H2,25,26);2-3,6-7,10,15H,4-5,8-9,11-12,28H2,1H3;2,5-6,9,14H,3-4,7-8,10-11,25H2,1H3,(H2,26,27);2-3,6-7,10,15H,4-5,8-9,11-12,25H2,1H3/t14?,17-;13?,16-;15-;14-;15-/m11111/s1.

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

(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(4R)-2,2-difluoro-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-2-methyl-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[7-methyl-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 2377.64 g/mol, XLogP of 21.76, 15 rotatable bonds, 7 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(4R)-2,2-difluoro-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-2-methyl-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[7-methyl-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 164959999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).