N-(3-carbamoyl-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylic acid;6-methyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]quinazoline-2-carboxamide

C85H78F3N27O7 — CID 162063820

IUPACN-(3-carbamoyl-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylic acid;6-methyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]quinazoline-2-carboxamide
SMILESCc1ccc2nc(C(=O)N[C@H]3CCN(c4nccn5cnnc45)C3)ncc2c1.Cc1cn2cccc2c(N2CC[C@H](NC(=O)c3ccn(-c4ccc(F)cc4)n3)C2)n1.NC(=O)C1(NC(=O)c2ccn(-c3ccc(F)cc3)n2)CCN(c2nccn3cccc23)C1.O=C(NC1(C(=O)O)CCN(c2nccn3cccc23)C1)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H20FN7O2.C22H19FN6O3.C22H21FN6O.C19H18N8O/c23-15-3-5-16(6-4-15)30-11-7-17(27-30)20(31)26-22(21(24)32)8-12-29(14-22)19-18-2-1-10-28(18)13-9-25-19;23-15-3-5-16(6-4-15)29-11-7-17(26-29)20(30)25-22(21(31)32)8-12-28(14-22)19-18-2-1-10-27(18)13-9-24-19;1-15-13-27-10-2-3-20(27)21(24-15)28-11-8-17(14-28)25-22(30)19-9-12-29(26-19)18-6-4-16(23)5-7-18;1-12-2-3-15-13(8-12)9-21-16(24-15)19(28)23-14-4-6-26(10-14)17-18-25-22-11-27(18)7-5-20-17/h1-7,9-11,13H,8,12,14H2,(H2,24,32)(H,26,31);1-7,9-11,13H,8,12,14H2,(H,25,30)(H,31,32);2-7,9-10,12-13,17H,8,11,14H2,1H3,(H,25,30);2-3,5,7-9,11,14H,4,6,10H2,1H3,(H,23,28)/t;;17-;14-/m..00/s1
InChIKeyZAEOSZPYROBAHD-HKJTWHPVSA-N
MW1646.73 g/mol
LogP8.01
Rot. Bonds17

About N-(3-carbamoyl-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylic acid;6-methyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]quinazoline-2-carboxamide

N-(3-carbamoyl-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylic acid;6-methyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]quinazoline-2-carboxamide (PubChem CID 162063820) has the molecular formula C85H78F3N27O7 and a molecular weight of 1646.73 g/mol. Its IUPAC name is N-(3-carbamoyl-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylic acid;6-methyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]quinazoline-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylic acid;6-methyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]quinazoline-2-carboxamide
PubChem CID162063820
Molecular FormulaC85H78F3N27O7
Molecular Weight1646.73 g/mol
Exact Mass1645.65
IUPAC NameN-(3-carbamoyl-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylic acid;6-methyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]quinazoline-2-carboxamide
SMILESCc1ccc2nc(C(=O)N[C@H]3CCN(c4nccn5cnnc45)C3)ncc2c1.Cc1cn2cccc2c(N2CC[C@H](NC(=O)c3ccn(-c4ccc(F)cc4)n3)C2)n1.NC(=O)C1(NC(=O)c2ccn(-c3ccc(F)cc3)n2)CCN(c2nccn3cccc23)C1.O=C(NC1(C(=O)O)CCN(c2nccn3cccc23)C1)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H20FN7O2.C22H19FN6O3.C22H21FN6O.C19H18N8O/c23-15-3-5-16(6-4-15)30-11-7-17(27-30)20(31)26-22(21(24)32)8-12-29(14-22)19-18-2-1-10-28(18)13-9-25-19;23-15-3-5-16(6-4-15)29-11-7-17(26-29)20(30)25-22(21(31)32)8-12-28(14-22)19-18-2-1-10-27(18)13-9-24-19;1-15-13-27-10-2-3-20(27)21(24-15)28-11-8-17(14-28)25-22(30)19-9-12-29(26-19)18-6-4-16(23)5-7-18;1-12-2-3-15-13(8-12)9-21-16(24-15)19(28)23-14-4-6-26(10-14)17-18-25-22-11-27(18)7-5-20-17/h1-7,9-11,13H,8,12,14H2,(H2,24,32)(H,26,31);1-7,9-11,13H,8,12,14H2,(H,25,30)(H,31,32);2-7,9-10,12-13,17H,8,11,14H2,1H3,(H,25,30);2-3,5,7-9,11,14H,4,6,10H2,1H3,(H,23,28)/t;;17-;14-/m..00/s1
InChIKeyZAEOSZPYROBAHD-HKJTWHPVSA-N
XLogP8.01
TPSA383.97 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds17
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001646.73
LogP ≤ 58.01
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Analyze N-(3-carbamoyl-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylic acid;6-methyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]quinazoline-2-carboxamide with MolForge

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Related Compounds

5-methyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide
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N-[(3S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide
CID 131990152
1-(4-fluorophenyl)-N-[(3S)-3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide
CID 75203825
1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]imidazole-4-carboxamide
CID 75202556
1-(4-chloro-3-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2-(4-fluorophenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;1-(3-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide
CID 160839227
3-(tetrazol-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]benzamide
CID 121022052
5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide
CID 75204437
1-(5-butan-2-yl-2-pyridinyl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)pyrazole-3-carboxamide
CID 123346856
7-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide
CID 119104873
2,4-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
CID 119104884
1-(4-chlorophenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-chlorophenyl)pyrazole-3-carboxylic acid;(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-amine
CID 160870802
N-[(3S)-1-(3-ethylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide;1-(4-fluorophenyl)-N-[(3R)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide;6-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyridazine-3-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-(3-propan-2-ylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 159927467

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylic acid;6-methyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]quinazoline-2-carboxamide?
The IUPAC name of N-(3-carbamoyl-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylic acid;6-methyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]quinazoline-2-carboxamide (CID 162063820) is N-(3-carbamoyl-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylic acid;6-methyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]quinazoline-2-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylic acid;6-methyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]quinazoline-2-carboxamide?
The canonical SMILES for N-(3-carbamoyl-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylic acid;6-methyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]quinazoline-2-carboxamide is Cc1ccc2nc(C(=O)N[C@H]3CCN(c4nccn5cnnc45)C3)ncc2c1.Cc1cn2cccc2c(N2CC[C@H](NC(=O)c3ccn(-c4ccc(F)cc4)n3)C2)n1.NC(=O)C1(NC(=O)c2ccn(-c3ccc(F)cc3)n2)CCN(c2nccn3cccc23)C1.O=C(NC1(C(=O)O)CCN(c2nccn3cccc23)C1)c1ccn(-c2ccc(F)cc2)n1.
What is the InChIKey of N-(3-carbamoyl-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylic acid;6-methyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]quinazoline-2-carboxamide?
The InChIKey is ZAEOSZPYROBAHD-HKJTWHPVSA-N. The full InChI is InChI=1S/C22H20FN7O2.C22H19FN6O3.C22H21FN6O.C19H18N8O/c23-15-3-5-16(6-4-15)30-11-7-17(27-30)20(31)26-22(21(24)32)8-12-29(14-22)19-18-2-1-10-28(18)13-9-25-19;23-15-3-5-16(6-4-15)29-11-7-17(26-29)20(30)25-22(21(31)32)8-12-28(14-22)19-18-2-1-10-27(18)13-9-24-19;1-15-13-27-10-2-3-20(27)21(24-15)28-11-8-17(14-28)25-22(30)19-9-12-29(26-19)18-6-4-16(23)5-7-18;1-12-2-3-15-13(8-12)9-21-16(24-15)19(28)23-14-4-6-26(10-14)17-18-25-22-11-27(18)7-5-20-17/h1-7,9-11,13H,8,12,14H2,(H2,24,32)(H,26,31);1-7,9-11,13H,8,12,14H2,(H,25,30)(H,31,32);2-7,9-10,12-13,17H,8,11,14H2,1H3,(H,25,30);2-3,5,7-9,11,14H,4,6,10H2,1H3,(H,23,28)/t;;17-;14-/m..00/s1.
What are the key properties of N-(3-carbamoyl-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylic acid;6-methyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]quinazoline-2-carboxamide?
N-(3-carbamoyl-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylic acid;6-methyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]quinazoline-2-carboxamide has a molecular weight of 1646.73 g/mol, XLogP of 8.01, 17 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylic acid;6-methyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]quinazoline-2-carboxamide is sourced from PubChem (CID 162063820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).