5-ethyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide

C76H72FN27O4S2 — CID 162228934

IUPAC5-ethyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
SMILESCCc1cnc(C(=O)N[C@H]2CCN(c3nccn4cccc34)C2)nc1.O=C(N[C@H]1CCN(c2nccn3ccnc23)C1)c1csc(-c2ccccc2)n1.O=C(N[C@H]1CCN(c2nccn3cnnc23)C1)c1csc(-c2ccccc2)n1.O=C(N[C@H]1CCN(c2nccn3ncnc23)C1)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H18N6OS.C19H17FN8O.C19H17N7OS.C18H20N6O/c27-19(16-13-28-20(24-16)14-4-2-1-3-5-14)23-15-6-9-26(12-15)18-17-21-7-10-25(17)11-8-22-18;20-13-1-3-15(4-2-13)27-9-6-16(25-27)19(29)24-14-5-8-26(11-14)17-18-22-12-23-28(18)10-7-21-17;27-18(15-11-28-19(23-15)13-4-2-1-3-5-13)22-14-6-8-25(10-14)16-17-24-21-12-26(17)9-7-20-16;1-2-13-10-20-16(21-11-13)18(25)22-14-5-8-24(12-14)17-15-4-3-7-23(15)9-6-19-17/h1-5,7-8,10-11,13,15H,6,9,12H2,(H,23,27);1-4,6-7,9-10,12,14H,5,8,11H2,(H,24,29);1-5,7,9,11-12,14H,6,8,10H2,(H,22,27);3-4,6-7,9-11,14H,2,5,8,12H2,1H3,(H,22,25)/t15-;3*14-/m0000/s1
InChIKeyZVDKSHKNWKWCHJ-RMSOTHLFSA-N
MW1510.73 g/mol
LogP8.27
Rot. Bonds16

About 5-ethyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide

5-ethyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 162228934) has the molecular formula C76H72FN27O4S2 and a molecular weight of 1510.73 g/mol. Its IUPAC name is 5-ethyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
PubChem CID162228934
Molecular FormulaC76H72FN27O4S2
Molecular Weight1510.73 g/mol
Exact Mass1509.57
IUPAC Name5-ethyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
SMILESCCc1cnc(C(=O)N[C@H]2CCN(c3nccn4cccc34)C2)nc1.O=C(N[C@H]1CCN(c2nccn3ccnc23)C1)c1csc(-c2ccccc2)n1.O=C(N[C@H]1CCN(c2nccn3cnnc23)C1)c1csc(-c2ccccc2)n1.O=C(N[C@H]1CCN(c2nccn3ncnc23)C1)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H18N6OS.C19H17FN8O.C19H17N7OS.C18H20N6O/c27-19(16-13-28-20(24-16)14-4-2-1-3-5-14)23-15-6-9-26(12-15)18-17-21-7-10-25(17)11-8-22-18;20-13-1-3-15(4-2-13)27-9-6-16(25-27)19(29)24-14-5-8-26(11-14)17-18-22-12-23-28(18)10-7-21-17;27-18(15-11-28-19(23-15)13-4-2-1-3-5-13)22-14-6-8-25(10-14)16-17-24-21-12-26(17)9-7-20-16;1-2-13-10-20-16(21-11-13)18(25)22-14-5-8-24(12-14)17-15-4-3-7-23(15)9-6-19-17/h1-5,7-8,10-11,13,15H,6,9,12H2,(H,23,27);1-4,6-7,9-10,12,14H,5,8,11H2,(H,24,29);1-5,7,9,11-12,14H,6,8,10H2,(H,22,27);3-4,6-7,9-11,14H,2,5,8,12H2,1H3,(H,22,25)/t15-;3*14-/m0000/s1
InChIKeyZVDKSHKNWKWCHJ-RMSOTHLFSA-N
XLogP8.27
TPSA332.39 Ų
H-Bond Donors4
H-Bond Acceptors29
Rotatable Bonds16
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001510.73
LogP ≤ 58.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1029

Analyze 5-ethyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-(6-(1-(1-(2-amino-2-oxoethyl)piperidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)imidazo[1,2-b] pyridazin-2-yl)-4-methyl-2-(pyridin-3-yl) thiazole-5-carboxamide
CID 76282083
N-[6-[5-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 90240410
N-[6-[5-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 90241797
2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1-(thiazole-4-carbonyl)piperidin-4-yl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)isonicotinamide
CID 118538673
N-(6-(4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)-4-methyl-2-(pyridin-3-yl)thiazole-5-carboxamide
CID 118539013
US9777000, Example 1.3
CID 78322329
US9777000, Example 1.5
CID 78322331
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 118537133
N-[6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 118537149
N-[6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 118537162
N-(6-(2-(4-fluorophenyl) imidazo[1,2-a]pyridin-3-yl) imidazo[1,2-b]pyridazin-2-yl)-2-(pyridin-4-yl)thiazole-4-carboxamide
CID 118538788
N-(6-(4-(4-fluorophenyl)-1,2-dimethyl-1H-imidazol-5-yl) imidazo[1,2-b]pyridazin-2-yl)-2-(pyridin-4-yl)thiazole-4-carboxamide
CID 118538864

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide (CID 162228934) is 5-ethyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide is CCc1cnc(C(=O)N[C@H]2CCN(c3nccn4cccc34)C2)nc1.O=C(N[C@H]1CCN(c2nccn3ccnc23)C1)c1csc(-c2ccccc2)n1.O=C(N[C@H]1CCN(c2nccn3cnnc23)C1)c1csc(-c2ccccc2)n1.O=C(N[C@H]1CCN(c2nccn3ncnc23)C1)c1ccn(-c2ccc(F)cc2)n1.
What is the InChIKey of 5-ethyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is ZVDKSHKNWKWCHJ-RMSOTHLFSA-N. The full InChI is InChI=1S/C20H18N6OS.C19H17FN8O.C19H17N7OS.C18H20N6O/c27-19(16-13-28-20(24-16)14-4-2-1-3-5-14)23-15-6-9-26(12-15)18-17-21-7-10-25(17)11-8-22-18;20-13-1-3-15(4-2-13)27-9-6-16(25-27)19(29)24-14-5-8-26(11-14)17-18-22-12-23-28(18)10-7-21-17;27-18(15-11-28-19(23-15)13-4-2-1-3-5-13)22-14-6-8-25(10-14)16-17-24-21-12-26(17)9-7-20-16;1-2-13-10-20-16(21-11-13)18(25)22-14-5-8-24(12-14)17-15-4-3-7-23(15)9-6-19-17/h1-5,7-8,10-11,13,15H,6,9,12H2,(H,23,27);1-4,6-7,9-10,12,14H,5,8,11H2,(H,24,29);1-5,7,9,11-12,14H,6,8,10H2,(H,22,27);3-4,6-7,9-11,14H,2,5,8,12H2,1H3,(H,22,25)/t15-;3*14-/m0000/s1.
What are the key properties of 5-ethyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
5-ethyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 1510.73 g/mol, XLogP of 8.27, 16 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 162228934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).