[3-[(5S)-5-amino-3-ethylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol;[3-[(1S)-1-amino-6-ethylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol;[3-[(1S)-1-amino-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol;1-[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(3-chloro-2-methyl-4-pyridinyl)-5-methylpyrazin-2-yl]ethanol

C102H114Cl7N21O4 — CID 167659680

About [3-[(5S)-5-amino-3-ethylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol;[3-[(1S)-1-amino-6-ethylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol;[3-[(1S)-1-amino-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol;1-[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(3-chloro-2-methyl-4-pyridinyl)-5-methylpyrazin-2-yl]ethanol

[3-[(5S)-5-amino-3-ethylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol;[3-[(1S)-1-amino-6-ethylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol;[3-[(1S)-1-amino-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol;1-[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(3-chloro-2-methyl-4-pyridinyl)-5-methylpyrazin-2-yl]ethanol (PubChem CID 167659680) has the molecular formula C102H114Cl7N21O4 and a molecular weight of 1946.35 g/mol. Its IUPAC name is [3-[(5S)-5-amino-3-ethylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol;[3-[(1S)-1-amino-6-ethylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol;[3-[(1S)-1-amino-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol;1-[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(3-chloro-2-methyl-4-pyridinyl)-5-methylpyrazin-2-yl]ethanol.

Molecular Properties

• Compound Name: [3-[(5S)-5-amino-3-ethylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol;[3-[(1S)-1-amino-6-ethylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol;[3-[(1S)-1-amino-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol;1-[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(3-chloro-2-methyl-4-pyridinyl)-5-methylpyrazin-2-yl]ethanol
• PubChem CID: 167659680
• Molecular Formula: C102H114Cl7N21O4
• Molecular Weight: 1946.35 g/mol
• Exact Mass: 1941.72
• IUPAC Name: [3-[(5S)-5-amino-3-ethylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol;[3-[(1S)-1-amino-6-ethylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol;[3-[(1S)-1-amino-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol;1-[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(3-chloro-2-methyl-4-pyridinyl)-5-methylpyrazin-2-yl]ethanol
• SMILES: CCc1ccc2c(c1)[C@@H](N)C1(CCN(c3nc(C)c(-c4ccnc(Cl)c4Cl)nc3CO)CC1)C2.CCc1cnc2c(c1)[C@@H](N)C1(CCN(c3nc(C)c(-c4ccnc(Cl)c4Cl)nc3CO)CC1)C2.Cc1ccc2c(c1)[C@@H](N)C1(CCN(c3nc(C)c(-c4ccnc(Cl)c4Cl)nc3CO)CC1)C2.Cc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)c(C(C)O)nc1-c1ccnc(C)c1Cl
• InChI: InChI=1S/C26H29Cl2N5O.C26H30ClN5O.C25H28Cl2N6O.C25H27Cl2N5O/c1-3-16-4-5-17-13-26(23(29)19(17)12-16)7-10-33(11-8-26)25-20(14-34)32-22(15(2)31-25)18-6-9-30-24(28)21(18)27;1-15-21(27)20(8-11-29-15)22-16(2)30-25(23(31-22)17(3)33)32-12-9-26(10-13-32)14-18-6-4-5-7-19(18)24(26)28;1-3-15-10-17-18(30-12-15)11-25(22(17)28)5-8-33(9-6-25)24-19(13-34)32-21(14(2)31-24)16-4-7-29-23(27)20(16)26;1-14-3-4-16-12-25(22(28)18(16)11-14)6-9-32(10-7-25)24-19(13-33)31-21(15(2)30-24)17-5-8-29-23(27)20(17)26/h4-6,9,12,23,34H,3,7-8,10-11,13-14,29H2,1-2H3;4-8,11,17,24,33H,9-10,12-14,28H2,1-3H3;4,7,10,12,22,34H,3,5-6,8-9,11,13,28H2,1-2H3;3-5,8,11,22,33H,6-7,9-10,12-13,28H2,1-2H3/t23-;17?,24-;2*22-/m1111/s1
• InChIKey: RTVFMSMRBGASCM-SFHJMSLBSA-N
• XLogP: 19.00
• TPSA: 365.53 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 14
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1946.35
LogP ≤ 5	19.00
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-[(5S)-5-amino-3-ethylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol;[3-[(1S)-1-amino-6-ethylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol;[3-[(1S)-1-amino-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol;1-[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(3-chloro-2-methyl-4-pyridinyl)-5-methylpyrazin-2-yl]ethanol?

The IUPAC name of [3-[(5S)-5-amino-3-ethylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol;[3-[(1S)-1-amino-6-ethylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol;[3-[(1S)-1-amino-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol;1-[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(3-chloro-2-methyl-4-pyridinyl)-5-methylpyrazin-2-yl]ethanol (CID 167659680) is [3-[(5S)-5-amino-3-ethylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol;[3-[(1S)-1-amino-6-ethylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol;[3-[(1S)-1-amino-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol;1-[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(3-chloro-2-methyl-4-pyridinyl)-5-methylpyrazin-2-yl]ethanol.

What is the SMILES notation for [3-[(5S)-5-amino-3-ethylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol;[3-[(1S)-1-amino-6-ethylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol;[3-[(1S)-1-amino-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol;1-[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(3-chloro-2-methyl-4-pyridinyl)-5-methylpyrazin-2-yl]ethanol?

The canonical SMILES for [3-[(5S)-5-amino-3-ethylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol;[3-[(1S)-1-amino-6-ethylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol;[3-[(1S)-1-amino-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol;1-[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(3-chloro-2-methyl-4-pyridinyl)-5-methylpyrazin-2-yl]ethanol is CCc1ccc2c(c1)[C@@H](N)C1(CCN(c3nc(C)c(-c4ccnc(Cl)c4Cl)nc3CO)CC1)C2.CCc1cnc2c(c1)[C@@H](N)C1(CCN(c3nc(C)c(-c4ccnc(Cl)c4Cl)nc3CO)CC1)C2.Cc1ccc2c(c1)[C@@H](N)C1(CCN(c3nc(C)c(-c4ccnc(Cl)c4Cl)nc3CO)CC1)C2.Cc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)c(C(C)O)nc1-c1ccnc(C)c1Cl.

What is the InChIKey of [3-[(5S)-5-amino-3-ethylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol;[3-[(1S)-1-amino-6-ethylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol;[3-[(1S)-1-amino-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol;1-[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(3-chloro-2-methyl-4-pyridinyl)-5-methylpyrazin-2-yl]ethanol?

The InChIKey is RTVFMSMRBGASCM-SFHJMSLBSA-N. The full InChI is InChI=1S/C26H29Cl2N5O.C26H30ClN5O.C25H28Cl2N6O.C25H27Cl2N5O/c1-3-16-4-5-17-13-26(23(29)19(17)12-16)7-10-33(11-8-26)25-20(14-34)32-22(15(2)31-25)18-6-9-30-24(28)21(18)27;1-15-21(27)20(8-11-29-15)22-16(2)30-25(23(31-22)17(3)33)32-12-9-26(10-13-32)14-18-6-4-5-7-19(18)24(26)28;1-3-15-10-17-18(30-12-15)11-25(22(17)28)5-8-33(9-6-25)24-19(13-34)32-21(14(2)31-24)16-4-7-29-23(27)20(16)26;1-14-3-4-16-12-25(22(28)18(16)11-14)6-9-32(10-7-25)24-19(13-33)31-21(15(2)30-24)17-5-8-29-23(27)20(17)26/h4-6,9,12,23,34H,3,7-8,10-11,13-14,29H2,1-2H3;4-8,11,17,24,33H,9-10,12-14,28H2,1-3H3;4,7,10,12,22,34H,3,5-6,8-9,11,13,28H2,1-2H3;3-5,8,11,22,33H,6-7,9-10,12-13,28H2,1-2H3/t23-;17?,24-;2*22-/m1111/s1.

What are the key properties of [3-[(5S)-5-amino-3-ethylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol;[3-[(1S)-1-amino-6-ethylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol;[3-[(1S)-1-amino-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol;1-[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(3-chloro-2-methyl-4-pyridinyl)-5-methylpyrazin-2-yl]ethanol?

[3-[(5S)-5-amino-3-ethylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol;[3-[(1S)-1-amino-6-ethylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol;[3-[(1S)-1-amino-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol;1-[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(3-chloro-2-methyl-4-pyridinyl)-5-methylpyrazin-2-yl]ethanol has a molecular weight of 1946.35 g/mol, XLogP of 19.00, 14 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[(5S)-5-amino-3-ethylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol;[3-[(1S)-1-amino-6-ethylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol;[3-[(1S)-1-amino-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol;1-[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(3-chloro-2-methyl-4-pyridinyl)-5-methylpyrazin-2-yl]ethanol is sourced from PubChem (CID 167659680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).