(1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C105H109Cl3F3N25OS3 — CID 165015993

About (1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

(1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 165015993) has the molecular formula C105H109Cl3F3N25OS3 and a molecular weight of 1996.75 g/mol. Its IUPAC name is (1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

• Compound Name: (1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
• PubChem CID: 165015993
• Molecular Formula: C105H109Cl3F3N25OS3
• Molecular Weight: 1996.75 g/mol
• Exact Mass: 1993.74
• IUPAC Name: (1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
• SMILES: Cc1cc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2ccnc2c1-c1ccnc(N)c1Cl.Cc1cc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2ccnc2c1Sc1cccnc1C(F)(F)F.Cc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2c(C)cnc2c1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2cc(CO)nc2c1Sc1ccnc(N)c1Cl
• InChI: InChI=1S/C27H26F3N5S.C26H28ClN7OS.C26H28ClN7S.C26H27ClN6/c1-17-15-21(34-12-8-26(9-13-34)16-18-5-2-3-6-19(18)23(26)31)35-14-11-33-25(35)22(17)36-20-7-4-10-32-24(20)27(28,29)30;1-15-21(36-19-6-9-30-23(29)20(19)27)24-32-17(14-35)13-34(24)25(31-15)33-10-7-26(8-11-33)12-16-4-2-3-5-18(16)22(26)28;1-15-14-31-24-21(35-19-7-10-30-23(29)20(19)27)16(2)32-25(34(15)24)33-11-8-26(9-12-33)13-17-5-3-4-6-18(17)22(26)28;1-16-14-20(33-13-10-31-25(33)21(16)19-6-9-30-24(29)22(19)27)32-11-7-26(8-12-32)15-17-4-2-3-5-18(17)23(26)28/h2-7,10-11,14-15,23H,8-9,12-13,16,31H2,1H3;2-6,9,13,22,35H,7-8,10-12,14,28H2,1H3,(H2,29,30);3-7,10,14,22H,8-9,11-13,28H2,1-2H3,(H2,29,30);2-6,9-10,13-14,23H,7-8,11-12,15,28H2,1H3,(H2,29,30)/t23-;2*22-;23-/m1111/s1
• InChIKey: KKSSJEZAGJZCOI-CRMGNFQGSA-N
• XLogP: 19.96
• TPSA: 361.87 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 12
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1996.75
LogP ≤ 5	19.96
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

The IUPAC name of (1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 165015993) is (1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-a]pyridin-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)-7-methylimidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

The canonical SMILES for (1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is Cc1cc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2ccnc2c1-c1ccnc(N)c1Cl.Cc1cc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2ccnc2c1Sc1cccnc1C(F)(F)F.Cc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2c(C)cnc2c1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2cc(CO)nc2c1Sc1ccnc(N)c1Cl.

What is the InChIKey of (1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

The InChIKey is KKSSJEZAGJZCOI-CRMGNFQGSA-N. The full InChI is InChI=1S/C27H26F3N5S.C26H28ClN7OS.C26H28ClN7S.C26H27ClN6/c1-17-15-21(34-12-8-26(9-13-34)16-18-5-2-3-6-19(18)23(26)31)35-14-11-33-25(35)22(17)36-20-7-4-10-32-24(20)27(28,29)30;1-15-21(36-19-6-9-30-23(29)20(19)27)24-32-17(14-35)13-34(24)25(31-15)33-10-7-26(8-11-33)12-16-4-2-3-5-18(16)22(26)28;1-15-14-31-24-21(35-19-7-10-30-23(29)20(19)27)16(2)32-25(34(15)24)33-11-8-26(9-12-33)13-17-5-3-4-6-18(17)22(26)28;1-16-14-20(33-13-10-31-25(33)21(16)19-6-9-30-24(29)22(19)27)32-11-7-26(8-12-32)15-17-4-2-3-5-18(17)23(26)28/h2-7,10-11,14-15,23H,8-9,12-13,16,31H2,1H3;2-6,9,13,22,35H,7-8,10-12,14,28H2,1H3,(H2,29,30);3-7,10,14,22H,8-9,11-13,28H2,1-2H3,(H2,29,30);2-6,9-10,13-14,23H,7-8,11-12,15,28H2,1H3,(H2,29,30)/t23-;2*22-;23-/m1111/s1.

What are the key properties of (1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

(1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 1996.75 g/mol, XLogP of 19.96, 12 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 165015993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).