(3R)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine;(3R)-1'-[7-methyl-8-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine

C121H117Cl3F6N34O5S3 — CID 164982960

About (3R)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine;(3R)-1'-[7-methyl-8-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine

(3R)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine;(3R)-1'-[7-methyl-8-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine (PubChem CID 164982960) has the molecular formula C121H117Cl3F6N34O5S3 and a molecular weight of 2444.05 g/mol. Its IUPAC name is (3R)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine;(3R)-1'-[7-methyl-8-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine.

Molecular Properties

• Compound Name: (3R)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine;(3R)-1'-[7-methyl-8-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine
• PubChem CID: 164982960
• Molecular Formula: C121H117Cl3F6N34O5S3
• Molecular Weight: 2444.05 g/mol
• Exact Mass: 2440.81
• IUPAC Name: (3R)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine;(3R)-1'-[7-methyl-8-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine
• SMILES: Cc1nc(N2CCC3(CC2)Oc2ccccc2[C@H]3N)n2ccnc2c1-c1cccnc1C(F)(F)F.Cc1nc(N2CCC3(CC2)Oc2ccccc2[C@H]3N)n2ccnc2c1-c1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)Oc2ccccc2[C@H]3N)n2ccnc2c1Sc1cccnc1C(F)(F)F.Cc1nc(N2CCC3(CC2)Oc2ccccc2[C@H]3N)n2ccnc2c1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)Oc2cnccc2[C@H]3N)n2ccnc2c1Sc1ccnc(N)c1Cl
• InChI: InChI=1S/C25H23F3N6OS.C25H23F3N6O.C24H24ClN7OS.C24H24ClN7O.C23H23ClN8OS/c1-15-19(36-18-7-4-10-30-21(18)25(26,27)28)22-31-11-14-34(22)23(32-15)33-12-8-24(9-13-33)20(29)16-5-2-3-6-17(16)35-24;1-15-19(17-6-4-10-30-21(17)25(26,27)28)22-31-11-14-34(22)23(32-15)33-12-8-24(9-13-33)20(29)16-5-2-3-7-18(16)35-24;1-14-19(34-17-6-9-28-21(27)18(17)25)22-29-10-13-32(22)23(30-14)31-11-7-24(8-12-31)20(26)15-4-2-3-5-16(15)33-24;1-14-18(16-6-9-28-21(27)19(16)25)22-29-10-13-32(22)23(30-14)31-11-7-24(8-12-31)20(26)15-4-2-3-5-17(15)33-24;1-13-18(34-16-3-7-28-20(26)17(16)24)21-29-8-11-32(21)22(30-13)31-9-4-23(5-10-31)19(25)14-2-6-27-12-15(14)33-23/h2-7,10-11,14,20H,8-9,12-13,29H2,1H3;2-7,10-11,14,20H,8-9,12-13,29H2,1H3;2-6,9-10,13,20H,7-8,11-12,26H2,1H3,(H2,27,28);2-6,9-10,13,20H,7-8,11-12,26H2,1H3,(H2,27,28);2-3,6-8,11-12,19H,4-5,9-10,25H2,1H3,(H2,26,28)/t4*20-;19-/m11111/s1
• InChIKey: FTGSDOGPPJEKTG-QIEZPWMLSA-N
• XLogP: 21.25
• TPSA: 498.80 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 42
• Rotatable Bonds: 13
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2444.05
LogP ≤ 5	21.25
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of (3R)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine;(3R)-1'-[7-methyl-8-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine?

The IUPAC name of (3R)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine;(3R)-1'-[7-methyl-8-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine (CID 164982960) is (3R)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine;(3R)-1'-[7-methyl-8-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine.

What is the SMILES notation for (3R)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine;(3R)-1'-[7-methyl-8-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine?

The canonical SMILES for (3R)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine;(3R)-1'-[7-methyl-8-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine is Cc1nc(N2CCC3(CC2)Oc2ccccc2[C@H]3N)n2ccnc2c1-c1cccnc1C(F)(F)F.Cc1nc(N2CCC3(CC2)Oc2ccccc2[C@H]3N)n2ccnc2c1-c1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)Oc2ccccc2[C@H]3N)n2ccnc2c1Sc1cccnc1C(F)(F)F.Cc1nc(N2CCC3(CC2)Oc2ccccc2[C@H]3N)n2ccnc2c1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)Oc2cnccc2[C@H]3N)n2ccnc2c1Sc1ccnc(N)c1Cl.

What is the InChIKey of (3R)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine;(3R)-1'-[7-methyl-8-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine?

The InChIKey is FTGSDOGPPJEKTG-QIEZPWMLSA-N. The full InChI is InChI=1S/C25H23F3N6OS.C25H23F3N6O.C24H24ClN7OS.C24H24ClN7O.C23H23ClN8OS/c1-15-19(36-18-7-4-10-30-21(18)25(26,27)28)22-31-11-14-34(22)23(32-15)33-12-8-24(9-13-33)20(29)16-5-2-3-6-17(16)35-24;1-15-19(17-6-4-10-30-21(17)25(26,27)28)22-31-11-14-34(22)23(32-15)33-12-8-24(9-13-33)20(29)16-5-2-3-7-18(16)35-24;1-14-19(34-17-6-9-28-21(27)18(17)25)22-29-10-13-32(22)23(30-14)31-11-7-24(8-12-31)20(26)15-4-2-3-5-16(15)33-24;1-14-18(16-6-9-28-21(27)19(16)25)22-29-10-13-32(22)23(30-14)31-11-7-24(8-12-31)20(26)15-4-2-3-5-17(15)33-24;1-13-18(34-16-3-7-28-20(26)17(16)24)21-29-8-11-32(21)22(30-13)31-9-4-23(5-10-31)19(25)14-2-6-27-12-15(14)33-23/h2-7,10-11,14,20H,8-9,12-13,29H2,1H3;2-7,10-11,14,20H,8-9,12-13,29H2,1H3;2-6,9-10,13,20H,7-8,11-12,26H2,1H3,(H2,27,28);2-6,9-10,13,20H,7-8,11-12,26H2,1H3,(H2,27,28);2-3,6-8,11-12,19H,4-5,9-10,25H2,1H3,(H2,26,28)/t4*20-;19-/m11111/s1.

What are the key properties of (3R)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine;(3R)-1'-[7-methyl-8-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine?

(3R)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine;(3R)-1'-[7-methyl-8-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine has a molecular weight of 2444.05 g/mol, XLogP of 21.25, 13 rotatable bonds, 8 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine;(3R)-1'-[7-methyl-8-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine is sourced from PubChem (CID 164982960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).