1-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide;2-(4-hydroxy-4-methylpiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxy-4-methylpiperidin-1-yl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-(2-methylphenyl)pyrazole-3-carboxamide

C103H117FN34O10S3 — CID 158446583

About 1-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide;2-(4-hydroxy-4-methylpiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxy-4-methylpiperidin-1-yl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-(2-methylphenyl)pyrazole-3-carboxamide

1-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide;2-(4-hydroxy-4-methylpiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxy-4-methylpiperidin-1-yl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-(2-methylphenyl)pyrazole-3-carboxamide (PubChem CID 158446583) has the molecular formula C103H117FN34O10S3 and a molecular weight of 2106.50 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide;2-(4-hydroxy-4-methylpiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxy-4-methylpiperidin-1-yl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-(2-methylphenyl)pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide;2-(4-hydroxy-4-methylpiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxy-4-methylpiperidin-1-yl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-(2-methylphenyl)pyrazole-3-carboxamide
• PubChem CID: 158446583
• Molecular Formula: C103H117FN34O10S3
• Molecular Weight: 2106.50 g/mol
• Exact Mass: 2104.88
• IUPAC Name: 1-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide;2-(4-hydroxy-4-methylpiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxy-4-methylpiperidin-1-yl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-(2-methylphenyl)pyrazole-3-carboxamide
• SMILES: CC1(O)CCN(c2nc(C(=O)N[C@H]3CCN(c4nccn5cccc45)C3)cs2)CC1.CC1(O)CCN(c2nc(C(=O)N[C@H]3CCN(c4nccn5ccnc45)C3)cs2)CC1.Cc1ccccc1-n1ccc(C(=O)N[C@H]2CCN(c3nccn4ccnc34)C2)n1.O=C(NC1(CO)CCN(c2nccn3ccnc23)C1)c1ccn(-c2ccc(F)cc2)n1.O=C(NC1(CO)CCN(c2nccn3ccnc23)C1)c1csc(N2CCC(O)CC2)n1
• InChI: InChI=1S/C21H20FN7O2.C21H21N7O.C21H26N6O2S.C20H25N7O3S.C20H25N7O2S/c22-15-1-3-16(4-2-15)29-9-5-17(26-29)20(31)25-21(14-30)6-10-28(13-21)19-18-23-7-11-27(18)12-8-24-19;1-15-4-2-3-5-18(15)28-11-7-17(25-28)21(29)24-16-6-10-27(14-16)20-19-22-8-12-26(19)13-9-23-20;1-21(29)5-10-26(11-6-21)20-24-16(14-30-20)19(28)23-15-4-9-27(13-15)18-17-3-2-8-25(17)12-7-22-18;28-13-20(3-8-27(12-20)17-16-21-4-9-25(16)10-5-22-17)24-18(30)15-11-31-19(23-15)26-6-1-14(29)2-7-26;1-20(29)3-8-26(9-4-20)19-24-15(13-30-19)18(28)23-14-2-7-27(12-14)17-16-21-5-10-25(16)11-6-22-17/h1-5,7-9,11-12,30H,6,10,13-14H2,(H,25,31);2-5,7-9,11-13,16H,6,10,14H2,1H3,(H,24,29);2-3,7-8,12,14-15,29H,4-6,9-11,13H2,1H3,(H,23,28);4-5,9-11,14,28-29H,1-3,6-8,12-13H2,(H,24,30);5-6,10-11,13-14,29H,2-4,7-9,12H2,1H3,(H,23,28)/t;16-;15-;;14-/m.00.0/s1
• InChIKey: HDLSJFGZYCEFGL-UEQYVIKPSA-N
• XLogP: 7.87
• TPSA: 484.94 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 42
• Rotatable Bonds: 22
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2106.50
LogP ≤ 5	7.87
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide;2-(4-hydroxy-4-methylpiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxy-4-methylpiperidin-1-yl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-(2-methylphenyl)pyrazole-3-carboxamide?

The IUPAC name of 1-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide;2-(4-hydroxy-4-methylpiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxy-4-methylpiperidin-1-yl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-(2-methylphenyl)pyrazole-3-carboxamide (CID 158446583) is 1-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide;2-(4-hydroxy-4-methylpiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxy-4-methylpiperidin-1-yl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-(2-methylphenyl)pyrazole-3-carboxamide.

What is the SMILES notation for 1-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide;2-(4-hydroxy-4-methylpiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxy-4-methylpiperidin-1-yl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-(2-methylphenyl)pyrazole-3-carboxamide?

The canonical SMILES for 1-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide;2-(4-hydroxy-4-methylpiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxy-4-methylpiperidin-1-yl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-(2-methylphenyl)pyrazole-3-carboxamide is CC1(O)CCN(c2nc(C(=O)N[C@H]3CCN(c4nccn5cccc45)C3)cs2)CC1.CC1(O)CCN(c2nc(C(=O)N[C@H]3CCN(c4nccn5ccnc45)C3)cs2)CC1.Cc1ccccc1-n1ccc(C(=O)N[C@H]2CCN(c3nccn4ccnc34)C2)n1.O=C(NC1(CO)CCN(c2nccn3ccnc23)C1)c1ccn(-c2ccc(F)cc2)n1.O=C(NC1(CO)CCN(c2nccn3ccnc23)C1)c1csc(N2CCC(O)CC2)n1.

What is the InChIKey of 1-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide;2-(4-hydroxy-4-methylpiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxy-4-methylpiperidin-1-yl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-(2-methylphenyl)pyrazole-3-carboxamide?

The InChIKey is HDLSJFGZYCEFGL-UEQYVIKPSA-N. The full InChI is InChI=1S/C21H20FN7O2.C21H21N7O.C21H26N6O2S.C20H25N7O3S.C20H25N7O2S/c22-15-1-3-16(4-2-15)29-9-5-17(26-29)20(31)25-21(14-30)6-10-28(13-21)19-18-23-7-11-27(18)12-8-24-19;1-15-4-2-3-5-18(15)28-11-7-17(25-28)21(29)24-16-6-10-27(14-16)20-19-22-8-12-26(19)13-9-23-20;1-21(29)5-10-26(11-6-21)20-24-16(14-30-20)19(28)23-15-4-9-27(13-15)18-17-3-2-8-25(17)12-7-22-18;28-13-20(3-8-27(12-20)17-16-21-4-9-25(16)10-5-22-17)24-18(30)15-11-31-19(23-15)26-6-1-14(29)2-7-26;1-20(29)3-8-26(9-4-20)19-24-15(13-30-19)18(28)23-14-2-7-27(12-14)17-16-21-5-10-25(16)11-6-22-17/h1-5,7-9,11-12,30H,6,10,13-14H2,(H,25,31);2-5,7-9,11-13,16H,6,10,14H2,1H3,(H,24,29);2-3,7-8,12,14-15,29H,4-6,9-11,13H2,1H3,(H,23,28);4-5,9-11,14,28-29H,1-3,6-8,12-13H2,(H,24,30);5-6,10-11,13-14,29H,2-4,7-9,12H2,1H3,(H,23,28)/t;16-;15-;;14-/m.00.0/s1.

What are the key properties of 1-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide;2-(4-hydroxy-4-methylpiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxy-4-methylpiperidin-1-yl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-(2-methylphenyl)pyrazole-3-carboxamide?

1-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide;2-(4-hydroxy-4-methylpiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxy-4-methylpiperidin-1-yl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-(2-methylphenyl)pyrazole-3-carboxamide has a molecular weight of 2106.50 g/mol, XLogP of 7.87, 22 rotatable bonds, 10 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide;2-(4-hydroxy-4-methylpiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxy-4-methylpiperidin-1-yl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-(2-methylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 158446583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).