1-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;1-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide;1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide

C80H74FN27O5 — CID 157255546

IUPAC1-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;1-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide;1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide
SMILESO=C(N[C@H]1CCN(c2nccn3cccc23)C1)c1ccn(-c2ccc(F)cc2)n1.O=C(N[C@H]1CCN(c2nccn3cccc23)C1)c1coc(-c2ccccc2)n1.O=C(N[C@H]1CCN(c2nccn3cccc23)C1)c1ncn(-c2ccccc2)n1.O=C(N[C@H]1CCN(c2nccn3cnnc23)C1)c1ncn(-c2ccccc2)n1
InChIInChI=1S/C21H19FN6O.C21H19N5O2.C20H19N7O.C18H17N9O/c22-15-3-5-17(6-4-15)28-12-8-18(25-28)21(29)24-16-7-11-27(14-16)20-19-2-1-10-26(19)13-9-23-20;27-20(17-14-28-21(24-17)15-5-2-1-3-6-15)23-16-8-11-26(13-16)19-18-7-4-10-25(18)12-9-22-19;28-20(18-22-14-27(24-18)16-5-2-1-3-6-16)23-15-8-11-26(13-15)19-17-7-4-10-25(17)12-9-21-19;28-18(15-20-11-27(24-15)14-4-2-1-3-5-14)22-13-6-8-25(10-13)16-17-23-21-12-26(17)9-7-19-16/h1-6,8-10,12-13,16H,7,11,14H2,(H,24,29);1-7,9-10,12,14,16H,8,11,13H2,(H,23,27);1-7,9-10,12,14-15H,8,11,13H2,(H,23,28);1-5,7,9,11-13H,6,8,10H2,(H,22,28)/t2*16-;15-;13-/m0000/s1
InChIKeyAWVSZVSQUDYIEI-CANIELPOSA-N
MW1512.65 g/mol
LogP8.30
Rot. Bonds16

About 1-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;1-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide;1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide

1-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;1-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide;1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide (PubChem CID 157255546) has the molecular formula C80H74FN27O5 and a molecular weight of 1512.65 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;1-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide;1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;1-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide;1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide
PubChem CID157255546
Molecular FormulaC80H74FN27O5
Molecular Weight1512.65 g/mol
Exact Mass1511.64
IUPAC Name1-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;1-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide;1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide
SMILESO=C(N[C@H]1CCN(c2nccn3cccc23)C1)c1ccn(-c2ccc(F)cc2)n1.O=C(N[C@H]1CCN(c2nccn3cccc23)C1)c1coc(-c2ccccc2)n1.O=C(N[C@H]1CCN(c2nccn3cccc23)C1)c1ncn(-c2ccccc2)n1.O=C(N[C@H]1CCN(c2nccn3cnnc23)C1)c1ncn(-c2ccccc2)n1
InChIInChI=1S/C21H19FN6O.C21H19N5O2.C20H19N7O.C18H17N9O/c22-15-3-5-17(6-4-15)28-12-8-18(25-28)21(29)24-16-7-11-27(14-16)20-19-2-1-10-26(19)13-9-23-20;27-20(17-14-28-21(24-17)15-5-2-1-3-6-15)23-16-8-11-26(13-16)19-18-7-4-10-25(18)12-9-22-19;28-20(18-22-14-27(24-18)16-5-2-1-3-6-16)23-15-8-11-26(13-15)19-17-7-4-10-25(17)12-9-21-19;28-18(15-20-11-27(24-15)14-4-2-1-3-5-14)22-13-6-8-25(10-13)16-17-23-21-12-26(17)9-7-19-16/h1-6,8-10,12-13,16H,7,11,14H2,(H,24,29);1-7,9-10,12,14,16H,8,11,13H2,(H,23,27);1-7,9-10,12,14-15H,8,11,13H2,(H,23,28);1-5,7,9,11-13H,6,8,10H2,(H,22,28)/t2*16-;15-;13-/m0000/s1
InChIKeyAWVSZVSQUDYIEI-CANIELPOSA-N
XLogP8.30
TPSA329.61 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds16
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001512.65
LogP ≤ 58.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

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

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Related Compounds

2-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
CID 90192081
N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide
CID 118538888
PROTAC IRAK4 degrader-1
CID 138727281
2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
CID 90192086
2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[2-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-7-yl]propoxy]ethoxy]ethylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
CID 158854016
2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[3-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-6-yl]propoxy]propyl-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
CID 166733296
2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[2-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-4-yl]propoxy]ethoxy]ethylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
CID 166733327
2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[2-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-6-yl]propoxy]ethoxy]ethylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
CID 166733641
2-[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-N-[[4-fluoro-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 44156790
2-[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-N-[[4-fluoro-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 44184204
2-[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-N-[[3-[3-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]-4-fluorophenyl]methyl]-1,3-oxazole-4-carboxamide
CID 44184205
2-[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-N-[[4-fluoro-3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 44184366

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;1-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide;1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;1-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide;1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide (CID 157255546) is 1-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;1-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide;1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;1-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide;1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;1-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide;1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide is O=C(N[C@H]1CCN(c2nccn3cccc23)C1)c1ccn(-c2ccc(F)cc2)n1.O=C(N[C@H]1CCN(c2nccn3cccc23)C1)c1coc(-c2ccccc2)n1.O=C(N[C@H]1CCN(c2nccn3cccc23)C1)c1ncn(-c2ccccc2)n1.O=C(N[C@H]1CCN(c2nccn3cnnc23)C1)c1ncn(-c2ccccc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;1-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide;1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide?
The InChIKey is AWVSZVSQUDYIEI-CANIELPOSA-N. The full InChI is InChI=1S/C21H19FN6O.C21H19N5O2.C20H19N7O.C18H17N9O/c22-15-3-5-17(6-4-15)28-12-8-18(25-28)21(29)24-16-7-11-27(14-16)20-19-2-1-10-26(19)13-9-23-20;27-20(17-14-28-21(24-17)15-5-2-1-3-6-15)23-16-8-11-26(13-16)19-18-7-4-10-25(18)12-9-22-19;28-20(18-22-14-27(24-18)16-5-2-1-3-6-16)23-15-8-11-26(13-15)19-17-7-4-10-25(17)12-9-21-19;28-18(15-20-11-27(24-15)14-4-2-1-3-5-14)22-13-6-8-25(10-13)16-17-23-21-12-26(17)9-7-19-16/h1-6,8-10,12-13,16H,7,11,14H2,(H,24,29);1-7,9-10,12,14,16H,8,11,13H2,(H,23,27);1-7,9-10,12,14-15H,8,11,13H2,(H,23,28);1-5,7,9,11-13H,6,8,10H2,(H,22,28)/t2*16-;15-;13-/m0000/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;1-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide;1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide?
1-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;1-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide;1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide has a molecular weight of 1512.65 g/mol, XLogP of 8.30, 16 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;1-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide;1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 157255546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).