(1S)-1'-[6-amino-5-[[3-chloro-2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[6-amino-5-[(3-chloro-2-pyrrolidin-1-yl-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-5-(oxetan-3-yl)pyrazin-2-amine;[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]-cyclopropylmethanol;[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol

C123H135Cl8F2N27O3S2 — CID 163960410

About (1S)-1'-[6-amino-5-[[3-chloro-2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[6-amino-5-[(3-chloro-2-pyrrolidin-1-yl-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-5-(oxetan-3-yl)pyrazin-2-amine;[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]-cyclopropylmethanol;[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol

(1S)-1'-[6-amino-5-[[3-chloro-2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[6-amino-5-[(3-chloro-2-pyrrolidin-1-yl-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-5-(oxetan-3-yl)pyrazin-2-amine;[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]-cyclopropylmethanol;[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol (PubChem CID 163960410) has the molecular formula C123H135Cl8F2N27O3S2 and a molecular weight of 2425.37 g/mol. Its IUPAC name is (1S)-1'-[6-amino-5-[[3-chloro-2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[6-amino-5-[(3-chloro-2-pyrrolidin-1-yl-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-5-(oxetan-3-yl)pyrazin-2-amine;[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]-cyclopropylmethanol;[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol.

Molecular Properties

• Compound Name: (1S)-1'-[6-amino-5-[[3-chloro-2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[6-amino-5-[(3-chloro-2-pyrrolidin-1-yl-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-5-(oxetan-3-yl)pyrazin-2-amine;[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]-cyclopropylmethanol;[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol
• PubChem CID: 163960410
• Molecular Formula: C123H135Cl8F2N27O3S2
• Molecular Weight: 2425.37 g/mol
• Exact Mass: 2419.82
• IUPAC Name: (1S)-1'-[6-amino-5-[[3-chloro-2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[6-amino-5-[(3-chloro-2-pyrrolidin-1-yl-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-5-(oxetan-3-yl)pyrazin-2-amine;[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]-cyclopropylmethanol;[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol
• SMILES: CC1(N)CCN(c2nc(N)c(-c3cccc(Cl)c3Cl)nc2C2COC2)CC1.Cc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)c(C(O)C2CC2)nc1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)c(CO)nc1-c1cccc(Cl)c1Cl.Nc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)cnc1Sc1ccnc(N2CC(F)(F)C2)c1Cl.Nc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)cnc1Sc1ccnc(N2CCCC2)c1Cl
• InChI: InChI=1S/C28H30Cl2N4O.C26H30ClN7S.C25H26Cl2N4O.C25H26ClF2N7S.C19H23Cl2N5O/c1-16-23(20-7-4-8-21(29)22(20)30)33-24(25(35)17-9-10-17)27(32-16)34-13-11-28(12-14-34)15-18-5-2-3-6-19(18)26(28)31;27-21-19(7-10-30-24(21)34-11-3-4-12-34)35-25-23(29)32-20(16-31-25)33-13-8-26(9-14-33)15-17-5-1-2-6-18(17)22(26)28;1-15-22(18-7-4-8-19(26)21(18)27)30-20(14-32)24(29-15)31-11-9-25(10-12-31)13-16-5-2-3-6-17(16)23(25)28;26-19-17(5-8-31-22(19)35-13-25(27,28)14-35)36-23-21(30)33-18(12-32-23)34-9-6-24(7-10-34)11-15-3-1-2-4-16(15)20(24)29;1-19(23)5-7-26(8-6-19)18-15(11-9-27-10-11)24-16(17(22)25-18)12-3-2-4-13(20)14(12)21/h2-8,17,25-26,35H,9-15,31H2,1H3;1-2,5-7,10,16,22H,3-4,8-9,11-15,28H2,(H2,29,32);2-8,23,32H,9-14,28H2,1H3;1-5,8,12,20H,6-7,9-11,13-14,29H2,(H2,30,33);2-4,11H,5-10,23H2,1H3,(H2,22,25)/t25?,26-;22-;23-;20-;/m1111./s1
• InChIKey: SGYCJGPBVWOICV-IGUQHJDKSA-N
• XLogP: 23.86
• TPSA: 435.21 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 32
• Rotatable Bonds: 18
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2425.37
LogP ≤ 5	23.86
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[6-amino-5-[[3-chloro-2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[6-amino-5-[(3-chloro-2-pyrrolidin-1-yl-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-5-(oxetan-3-yl)pyrazin-2-amine;[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]-cyclopropylmethanol;[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol?

The IUPAC name of (1S)-1'-[6-amino-5-[[3-chloro-2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[6-amino-5-[(3-chloro-2-pyrrolidin-1-yl-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-5-(oxetan-3-yl)pyrazin-2-amine;[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]-cyclopropylmethanol;[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol (CID 163960410) is (1S)-1'-[6-amino-5-[[3-chloro-2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[6-amino-5-[(3-chloro-2-pyrrolidin-1-yl-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-5-(oxetan-3-yl)pyrazin-2-amine;[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]-cyclopropylmethanol;[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol.

What is the SMILES notation for (1S)-1'-[6-amino-5-[[3-chloro-2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[6-amino-5-[(3-chloro-2-pyrrolidin-1-yl-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-5-(oxetan-3-yl)pyrazin-2-amine;[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]-cyclopropylmethanol;[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol?

The canonical SMILES for (1S)-1'-[6-amino-5-[[3-chloro-2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[6-amino-5-[(3-chloro-2-pyrrolidin-1-yl-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-5-(oxetan-3-yl)pyrazin-2-amine;[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]-cyclopropylmethanol;[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol is CC1(N)CCN(c2nc(N)c(-c3cccc(Cl)c3Cl)nc2C2COC2)CC1.Cc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)c(C(O)C2CC2)nc1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)c(CO)nc1-c1cccc(Cl)c1Cl.Nc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)cnc1Sc1ccnc(N2CC(F)(F)C2)c1Cl.Nc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)cnc1Sc1ccnc(N2CCCC2)c1Cl.

What is the InChIKey of (1S)-1'-[6-amino-5-[[3-chloro-2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[6-amino-5-[(3-chloro-2-pyrrolidin-1-yl-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-5-(oxetan-3-yl)pyrazin-2-amine;[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]-cyclopropylmethanol;[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol?

The InChIKey is SGYCJGPBVWOICV-IGUQHJDKSA-N. The full InChI is InChI=1S/C28H30Cl2N4O.C26H30ClN7S.C25H26Cl2N4O.C25H26ClF2N7S.C19H23Cl2N5O/c1-16-23(20-7-4-8-21(29)22(20)30)33-24(25(35)17-9-10-17)27(32-16)34-13-11-28(12-14-34)15-18-5-2-3-6-19(18)26(28)31;27-21-19(7-10-30-24(21)34-11-3-4-12-34)35-25-23(29)32-20(16-31-25)33-13-8-26(9-14-33)15-17-5-1-2-6-18(17)22(26)28;1-15-22(18-7-4-8-19(26)21(18)27)30-20(14-32)24(29-15)31-11-9-25(10-12-31)13-16-5-2-3-6-17(16)23(25)28;26-19-17(5-8-31-22(19)35-13-25(27,28)14-35)36-23-21(30)33-18(12-32-23)34-9-6-24(7-10-34)11-15-3-1-2-4-16(15)20(24)29;1-19(23)5-7-26(8-6-19)18-15(11-9-27-10-11)24-16(17(22)25-18)12-3-2-4-13(20)14(12)21/h2-8,17,25-26,35H,9-15,31H2,1H3;1-2,5-7,10,16,22H,3-4,8-9,11-15,28H2,(H2,29,32);2-8,23,32H,9-14,28H2,1H3;1-5,8,12,20H,6-7,9-11,13-14,29H2,(H2,30,33);2-4,11H,5-10,23H2,1H3,(H2,22,25)/t25?,26-;22-;23-;20-;/m1111./s1.

What are the key properties of (1S)-1'-[6-amino-5-[[3-chloro-2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[6-amino-5-[(3-chloro-2-pyrrolidin-1-yl-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-5-(oxetan-3-yl)pyrazin-2-amine;[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]-cyclopropylmethanol;[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol?

(1S)-1'-[6-amino-5-[[3-chloro-2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[6-amino-5-[(3-chloro-2-pyrrolidin-1-yl-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-5-(oxetan-3-yl)pyrazin-2-amine;[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]-cyclopropylmethanol;[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol has a molecular weight of 2425.37 g/mol, XLogP of 23.86, 18 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1'-[6-amino-5-[[3-chloro-2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[6-amino-5-[(3-chloro-2-pyrrolidin-1-yl-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-5-(oxetan-3-yl)pyrazin-2-amine;[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]-cyclopropylmethanol;[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol is sourced from PubChem (CID 163960410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).