5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;2-[(2R,6S)-6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;N,N-dimethyl-1-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-amine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine

C102H136N24 — CID 162139874

IUPAC5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;2-[(2R,6S)-6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;N,N-dimethyl-1-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-amine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
SMILESCN1CCN(c2cccc3nc([C@H]4CCC[C@@H](c5ncccc5C5CC5)N4C)cn23)CC1.Cc1cccnc1[C@@H]1CCC[C@H](c2cn3c(N4CCC(N(C)C)CC4)cccc3n2)N1C.Cc1cccnc1[C@@H]1CCC[C@H](c2cn3c(N4CCN(C)CC4)cccc3n2)N1C.Cc1cccnc1[C@@H]1CCC[C@H](c2cn3c(N4CCN5CCCC5C4)cccc3n2)N1C
InChIInChI=1S/2C26H34N6.C26H36N6.C24H32N6/c1-19-7-5-13-27-26(19)23-10-3-9-22(29(23)2)21-18-32-24(28-21)11-4-12-25(32)31-16-15-30-14-6-8-20(30)17-31;1-29-14-16-31(17-15-29)25-10-4-9-24-28-21(18-32(24)25)22-7-3-8-23(30(22)2)26-20(19-11-12-19)6-5-13-27-26;1-19-8-7-15-27-26(19)23-10-5-9-22(30(23)4)21-18-32-24(28-21)11-6-12-25(32)31-16-13-20(14-17-31)29(2)3;1-18-7-6-12-25-24(18)21-9-4-8-20(28(21)3)19-17-30-22(26-19)10-5-11-23(30)29-15-13-27(2)14-16-29/h4-5,7,11-13,18,20,22-23H,3,6,8-10,14-17H2,1-2H3;4-6,9-10,13,18-19,22-23H,3,7-8,11-12,14-17H2,1-2H3;6-8,11-12,15,18,20,22-23H,5,9-10,13-14,16-17H2,1-4H3;5-7,10-12,17,20-21H,4,8-9,13-16H2,1-3H3/t20?,22-,23+;2*22-,23+;20-,21+/m1111/s1
InChIKeyZJUAWIOFJVVBPS-GQJWHODFSA-N
MW1698.38 g/mol
LogP16.63
Rot. Bonds14

About 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;2-[(2R,6S)-6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;N,N-dimethyl-1-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-amine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine

5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;2-[(2R,6S)-6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;N,N-dimethyl-1-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-amine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine (PubChem CID 162139874) has the molecular formula C102H136N24 and a molecular weight of 1698.38 g/mol. Its IUPAC name is 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;2-[(2R,6S)-6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;N,N-dimethyl-1-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-amine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;2-[(2R,6S)-6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;N,N-dimethyl-1-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-amine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
PubChem CID162139874
Molecular FormulaC102H136N24
Molecular Weight1698.38 g/mol
Exact Mass1697.14
IUPAC Name5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;2-[(2R,6S)-6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;N,N-dimethyl-1-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-amine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
SMILESCN1CCN(c2cccc3nc([C@H]4CCC[C@@H](c5ncccc5C5CC5)N4C)cn23)CC1.Cc1cccnc1[C@@H]1CCC[C@H](c2cn3c(N4CCC(N(C)C)CC4)cccc3n2)N1C.Cc1cccnc1[C@@H]1CCC[C@H](c2cn3c(N4CCN(C)CC4)cccc3n2)N1C.Cc1cccnc1[C@@H]1CCC[C@H](c2cn3c(N4CCN5CCCC5C4)cccc3n2)N1C
InChIInChI=1S/2C26H34N6.C26H36N6.C24H32N6/c1-19-7-5-13-27-26(19)23-10-3-9-22(29(23)2)21-18-32-24(28-21)11-4-12-25(32)31-16-15-30-14-6-8-20(30)17-31;1-29-14-16-31(17-15-29)25-10-4-9-24-28-21(18-32(24)25)22-7-3-8-23(30(22)2)26-20(19-11-12-19)6-5-13-27-26;1-19-8-7-15-27-26(19)23-10-5-9-22(30(23)4)21-18-32-24(28-21)11-6-12-25(32)31-16-13-20(14-17-31)29(2)3;1-18-7-6-12-25-24(18)21-9-4-8-20(28(21)3)19-17-30-22(26-19)10-5-11-23(30)29-15-13-27(2)14-16-29/h4-5,7,11-13,18,20,22-23H,3,6,8-10,14-17H2,1-2H3;4-6,9-10,13,18-19,22-23H,3,7-8,11-12,14-17H2,1-2H3;6-8,11-12,15,18,20,22-23H,5,9-10,13-14,16-17H2,1-4H3;5-7,10-12,17,20-21H,4,8-9,13-16H2,1-3H3/t20?,22-,23+;2*22-,23+;20-,21+/m1111/s1
InChIKeyZJUAWIOFJVVBPS-GQJWHODFSA-N
XLogP16.63
TPSA159.64 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds14
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001698.38
LogP ≤ 516.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;2-[(2R,6S)-6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;N,N-dimethyl-1-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-amine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;2-[(2R,6S)-6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;N,N-dimethyl-1-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-amine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;2-[(2R,6S)-6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;N,N-dimethyl-1-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-amine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine (CID 162139874) is 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;2-[(2R,6S)-6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;N,N-dimethyl-1-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-amine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;2-[(2R,6S)-6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;N,N-dimethyl-1-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-amine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;2-[(2R,6S)-6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;N,N-dimethyl-1-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-amine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine is CN1CCN(c2cccc3nc([C@H]4CCC[C@@H](c5ncccc5C5CC5)N4C)cn23)CC1.Cc1cccnc1[C@@H]1CCC[C@H](c2cn3c(N4CCC(N(C)C)CC4)cccc3n2)N1C.Cc1cccnc1[C@@H]1CCC[C@H](c2cn3c(N4CCN(C)CC4)cccc3n2)N1C.Cc1cccnc1[C@@H]1CCC[C@H](c2cn3c(N4CCN5CCCC5C4)cccc3n2)N1C.
What is the InChIKey of 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;2-[(2R,6S)-6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;N,N-dimethyl-1-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-amine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine?
The InChIKey is ZJUAWIOFJVVBPS-GQJWHODFSA-N. The full InChI is InChI=1S/2C26H34N6.C26H36N6.C24H32N6/c1-19-7-5-13-27-26(19)23-10-3-9-22(29(23)2)21-18-32-24(28-21)11-4-12-25(32)31-16-15-30-14-6-8-20(30)17-31;1-29-14-16-31(17-15-29)25-10-4-9-24-28-21(18-32(24)25)22-7-3-8-23(30(22)2)26-20(19-11-12-19)6-5-13-27-26;1-19-8-7-15-27-26(19)23-10-5-9-22(30(23)4)21-18-32-24(28-21)11-6-12-25(32)31-16-13-20(14-17-31)29(2)3;1-18-7-6-12-25-24(18)21-9-4-8-20(28(21)3)19-17-30-22(26-19)10-5-11-23(30)29-15-13-27(2)14-16-29/h4-5,7,11-13,18,20,22-23H,3,6,8-10,14-17H2,1-2H3;4-6,9-10,13,18-19,22-23H,3,7-8,11-12,14-17H2,1-2H3;6-8,11-12,15,18,20,22-23H,5,9-10,13-14,16-17H2,1-4H3;5-7,10-12,17,20-21H,4,8-9,13-16H2,1-3H3/t20?,22-,23+;2*22-,23+;20-,21+/m1111/s1.
What are the key properties of 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;2-[(2R,6S)-6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;N,N-dimethyl-1-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-amine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine?
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;2-[(2R,6S)-6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;N,N-dimethyl-1-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-amine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine has a molecular weight of 1698.38 g/mol, XLogP of 16.63, 14 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;2-[(2R,6S)-6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;N,N-dimethyl-1-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-amine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 162139874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).