2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide

C80H90N24O7S2 — CID 158487406

IUPAC2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide
SMILESCC(C)c1cnc(C(=O)N[C@H]2CCN(c3nccn4cccc34)C2)nc1.Cc1ccccc1-c1nc(C(=O)N[C@H]2CCN(c3nccn4cccc34)C2)co1.O=C(N[C@H]1CCN(c2nccn3cccc23)C1)c1csc(N2CCC(O)CC2)n1.O=C(N[C@H]1CCN(c2nccn3ccnc23)C1)c1csc(N2CCC(O)CC2)n1
InChIInChI=1S/C22H21N5O2.C20H24N6O2S.C19H23N7O2S.C19H22N6O/c1-15-5-2-3-6-17(15)22-25-18(14-29-22)21(28)24-16-8-11-27(13-16)20-19-7-4-10-26(19)12-9-23-20;27-15-4-9-25(10-5-15)20-23-16(13-29-20)19(28)22-14-3-8-26(12-14)18-17-2-1-7-24(17)11-6-21-18;27-14-2-7-25(8-3-14)19-23-15(12-29-19)18(28)22-13-1-6-26(11-13)17-16-20-4-9-24(16)10-5-21-17;1-13(2)14-10-21-17(22-11-14)19(26)23-15-5-8-25(12-15)18-16-4-3-7-24(16)9-6-20-18/h2-7,9-10,12,14,16H,8,11,13H2,1H3,(H,24,28);1-2,6-7,11,13-15,27H,3-5,8-10,12H2,(H,22,28);4-5,9-10,12-14,27H,1-3,6-8,11H2,(H,22,28);3-4,6-7,9-11,13,15H,5,8,12H2,1-2H3,(H,23,26)/t16-;14-;13-;15-/m0000/s1
InChIKeyHIGOUTSTGMYUHZ-LWMNNKCYSA-N
MW1563.89 g/mol
LogP8.48
Rot. Bonds16

About 2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide

2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide (PubChem CID 158487406) has the molecular formula C80H90N24O7S2 and a molecular weight of 1563.89 g/mol. Its IUPAC name is 2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide
PubChem CID158487406
Molecular FormulaC80H90N24O7S2
Molecular Weight1563.89 g/mol
Exact Mass1562.69
IUPAC Name2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide
SMILESCC(C)c1cnc(C(=O)N[C@H]2CCN(c3nccn4cccc34)C2)nc1.Cc1ccccc1-c1nc(C(=O)N[C@H]2CCN(c3nccn4cccc34)C2)co1.O=C(N[C@H]1CCN(c2nccn3cccc23)C1)c1csc(N2CCC(O)CC2)n1.O=C(N[C@H]1CCN(c2nccn3ccnc23)C1)c1csc(N2CCC(O)CC2)n1
InChIInChI=1S/C22H21N5O2.C20H24N6O2S.C19H23N7O2S.C19H22N6O/c1-15-5-2-3-6-17(15)22-25-18(14-29-22)21(28)24-16-8-11-27(13-16)20-19-7-4-10-26(19)12-9-23-20;27-15-4-9-25(10-5-15)20-23-16(13-29-20)19(28)22-14-3-8-26(12-14)18-17-2-1-7-24(17)11-6-21-18;27-14-2-7-25(8-3-14)19-23-15(12-29-19)18(28)22-13-1-6-26(11-13)17-16-20-4-9-24(16)10-5-21-17;1-13(2)14-10-21-17(22-11-14)19(26)23-15-5-8-25(12-15)18-16-4-3-7-24(16)9-6-20-18/h2-7,9-10,12,14,16H,8,11,13H2,1H3,(H,24,28);1-2,6-7,11,13-15,27H,3-5,8-10,12H2,(H,22,28);4-5,9-10,12-14,27H,1-3,6-8,11H2,(H,22,28);3-4,6-7,9-11,13,15H,5,8,12H2,1-2H3,(H,23,26)/t16-;14-;13-;15-/m0000/s1
InChIKeyHIGOUTSTGMYUHZ-LWMNNKCYSA-N
XLogP8.48
TPSA335.98 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds16
Heavy Atoms113
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001563.89
LogP ≤ 58.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

Analyze 2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide?
The IUPAC name of 2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide (CID 158487406) is 2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide.
What is the SMILES notation for 2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide?
The canonical SMILES for 2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide is CC(C)c1cnc(C(=O)N[C@H]2CCN(c3nccn4cccc34)C2)nc1.Cc1ccccc1-c1nc(C(=O)N[C@H]2CCN(c3nccn4cccc34)C2)co1.O=C(N[C@H]1CCN(c2nccn3cccc23)C1)c1csc(N2CCC(O)CC2)n1.O=C(N[C@H]1CCN(c2nccn3ccnc23)C1)c1csc(N2CCC(O)CC2)n1.
What is the InChIKey of 2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide?
The InChIKey is HIGOUTSTGMYUHZ-LWMNNKCYSA-N. The full InChI is InChI=1S/C22H21N5O2.C20H24N6O2S.C19H23N7O2S.C19H22N6O/c1-15-5-2-3-6-17(15)22-25-18(14-29-22)21(28)24-16-8-11-27(13-16)20-19-7-4-10-26(19)12-9-23-20;27-15-4-9-25(10-5-15)20-23-16(13-29-20)19(28)22-14-3-8-26(12-14)18-17-2-1-7-24(17)11-6-21-18;27-14-2-7-25(8-3-14)19-23-15(12-29-19)18(28)22-13-1-6-26(11-13)17-16-20-4-9-24(16)10-5-21-17;1-13(2)14-10-21-17(22-11-14)19(26)23-15-5-8-25(12-15)18-16-4-3-7-24(16)9-6-20-18/h2-7,9-10,12,14,16H,8,11,13H2,1H3,(H,24,28);1-2,6-7,11,13-15,27H,3-5,8-10,12H2,(H,22,28);4-5,9-10,12-14,27H,1-3,6-8,11H2,(H,22,28);3-4,6-7,9-11,13,15H,5,8,12H2,1-2H3,(H,23,26)/t16-;14-;13-;15-/m0000/s1.
What are the key properties of 2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide?
2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide has a molecular weight of 1563.89 g/mol, XLogP of 8.48, 16 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide is sourced from PubChem (CID 158487406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).