N-[(3S)-3-carbamoyl-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1-(4-fluorophenyl)pyrazole-3-carboxamide;1-chloropyrrolo[1,2-a]pyrazine;ethyl 3-amino-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylate;ethyl (3S)-3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylate;ethyl 3-methylpyrrolidine-3-carboxylate;ethyl 3-methyl-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylate;(3S)-3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylic acid;1-(4-fluorophenyl)pyrazole-3-carboxylic acid;methane;hydrochloride

C123H131Cl2F4N31O16 — CID 161160679

About N-[(3S)-3-carbamoyl-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1-(4-fluorophenyl)pyrazole-3-carboxamide;1-chloropyrrolo[1,2-a]pyrazine;ethyl 3-amino-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylate;ethyl (3S)-3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylate;ethyl 3-methylpyrrolidine-3-carboxylate;ethyl 3-methyl-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylate;(3S)-3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylic acid;1-(4-fluorophenyl)pyrazole-3-carboxylic acid;methane;hydrochloride

N-[(3S)-3-carbamoyl-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1-(4-fluorophenyl)pyrazole-3-carboxamide;1-chloropyrrolo[1,2-a]pyrazine;ethyl 3-amino-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylate;ethyl (3S)-3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylate;ethyl 3-methylpyrrolidine-3-carboxylate;ethyl 3-methyl-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylate;(3S)-3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylic acid;1-(4-fluorophenyl)pyrazole-3-carboxylic acid;methane;hydrochloride (PubChem CID 161160679) has the molecular formula C123H131Cl2F4N31O16 and a molecular weight of 2446.50 g/mol. Its IUPAC name is N-[(3S)-3-carbamoyl-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1-(4-fluorophenyl)pyrazole-3-carboxamide;1-chloropyrrolo[1,2-a]pyrazine;ethyl 3-amino-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylate;ethyl (3S)-3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylate;ethyl 3-methylpyrrolidine-3-carboxylate;ethyl 3-methyl-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylate;(3S)-3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylic acid;1-(4-fluorophenyl)pyrazole-3-carboxylic acid;methane;hydrochloride.

Molecular Properties

• Compound Name: N-[(3S)-3-carbamoyl-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1-(4-fluorophenyl)pyrazole-3-carboxamide;1-chloropyrrolo[1,2-a]pyrazine;ethyl 3-amino-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylate;ethyl (3S)-3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylate;ethyl 3-methylpyrrolidine-3-carboxylate;ethyl 3-methyl-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylate;(3S)-3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylic acid;1-(4-fluorophenyl)pyrazole-3-carboxylic acid;methane;hydrochloride
• PubChem CID: 161160679
• Molecular Formula: C123H131Cl2F4N31O16
• Molecular Weight: 2446.50 g/mol
• Exact Mass: 2443.97
• IUPAC Name: N-[(3S)-3-carbamoyl-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1-(4-fluorophenyl)pyrazole-3-carboxamide;1-chloropyrrolo[1,2-a]pyrazine;ethyl 3-amino-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylate;ethyl (3S)-3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylate;ethyl 3-methylpyrrolidine-3-carboxylate;ethyl 3-methyl-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylate;(3S)-3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylic acid;1-(4-fluorophenyl)pyrazole-3-carboxylic acid;methane;hydrochloride
• SMILES: C.CCOC(=O)C1(C)CCN(c2nccn3cccc23)C1.CCOC(=O)C1(C)CCNC1.CCOC(=O)C1(N)CCN(c2nccn3cccc23)C1.CCOC(=O)[C@]1(NC(=O)c2ccn(-c3ccc(F)cc3)n2)CCN(c2nccn3cccc23)C1.Cl.Clc1nccn2cccc12.NC(=O)[C@]1(NC(=O)c2ccn(-c3ccc(F)cc3)n2)CCN(c2nccn3cccc23)C1.O=C(N[C@@]1(C(=O)O)CCN(c2nccn3cccc23)C1)c1ccn(-c2ccc(F)cc2)n1.O=C(O)c1ccn(-c2ccc(F)cc2)n1
• InChI: InChI=1S/C24H23FN6O3.C22H20FN7O2.C22H19FN6O3.C15H19N3O2.C14H18N4O2.C10H7FN2O2.C8H15NO2.C7H5ClN2.CH4.ClH/c1-2-34-23(33)24(10-14-30(16-24)21-20-4-3-12-29(20)15-11-26-21)27-22(32)19-9-13-31(28-19)18-7-5-17(25)6-8-18;23-15-3-5-16(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;1-3-20-14(19)15(2)6-9-18(11-15)13-12-5-4-8-17(12)10-7-16-13;1-2-20-13(19)14(15)5-8-18(10-14)12-11-4-3-7-17(11)9-6-16-12;11-7-1-3-8(4-2-7)13-6-5-9(12-13)10(14)15;1-3-11-7(10)8(2)4-5-9-6-8;8-7-6-2-1-4-10(6)5-3-9-7;;/h3-9,11-13,15H,2,10,14,16H2,1H3,(H,27,32);1-7,9-11,13H,8,12,14H2,(H2,24,32)(H,26,31);1-7,9-11,13H,8,12,14H2,(H,25,30)(H,31,32);4-5,7-8,10H,3,6,9,11H2,1-2H3;3-4,6-7,9H,2,5,8,10,15H2,1H3;1-6H,(H,14,15);9H,3-6H2,1-2H3;1-5H;1H4;1H/t24-;2*22-;;;;;;;/m000......./s1
• InChIKey: VAIWRNUJRBYYAR-NEMBQKABSA-N
• XLogP: 14.47
• TPSA: 539.52 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 41
• Rotatable Bonds: 26
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2446.50
LogP ≤ 5	14.47
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-carbamoyl-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1-(4-fluorophenyl)pyrazole-3-carboxamide;1-chloropyrrolo[1,2-a]pyrazine;ethyl 3-amino-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylate;ethyl (3S)-3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylate;ethyl 3-methylpyrrolidine-3-carboxylate;ethyl 3-methyl-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylate;(3S)-3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylic acid;1-(4-fluorophenyl)pyrazole-3-carboxylic acid;methane;hydrochloride?

The IUPAC name of N-[(3S)-3-carbamoyl-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1-(4-fluorophenyl)pyrazole-3-carboxamide;1-chloropyrrolo[1,2-a]pyrazine;ethyl 3-amino-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylate;ethyl (3S)-3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylate;ethyl 3-methylpyrrolidine-3-carboxylate;ethyl 3-methyl-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylate;(3S)-3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylic acid;1-(4-fluorophenyl)pyrazole-3-carboxylic acid;methane;hydrochloride (CID 161160679) is N-[(3S)-3-carbamoyl-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1-(4-fluorophenyl)pyrazole-3-carboxamide;1-chloropyrrolo[1,2-a]pyrazine;ethyl 3-amino-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylate;ethyl (3S)-3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylate;ethyl 3-methylpyrrolidine-3-carboxylate;ethyl 3-methyl-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylate;(3S)-3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylic acid;1-(4-fluorophenyl)pyrazole-3-carboxylic acid;methane;hydrochloride.

What is the SMILES notation for N-[(3S)-3-carbamoyl-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1-(4-fluorophenyl)pyrazole-3-carboxamide;1-chloropyrrolo[1,2-a]pyrazine;ethyl 3-amino-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylate;ethyl (3S)-3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylate;ethyl 3-methylpyrrolidine-3-carboxylate;ethyl 3-methyl-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylate;(3S)-3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylic acid;1-(4-fluorophenyl)pyrazole-3-carboxylic acid;methane;hydrochloride?

The canonical SMILES for N-[(3S)-3-carbamoyl-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1-(4-fluorophenyl)pyrazole-3-carboxamide;1-chloropyrrolo[1,2-a]pyrazine;ethyl 3-amino-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylate;ethyl (3S)-3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylate;ethyl 3-methylpyrrolidine-3-carboxylate;ethyl 3-methyl-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylate;(3S)-3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylic acid;1-(4-fluorophenyl)pyrazole-3-carboxylic acid;methane;hydrochloride is C.CCOC(=O)C1(C)CCN(c2nccn3cccc23)C1.CCOC(=O)C1(C)CCNC1.CCOC(=O)C1(N)CCN(c2nccn3cccc23)C1.CCOC(=O)[C@]1(NC(=O)c2ccn(-c3ccc(F)cc3)n2)CCN(c2nccn3cccc23)C1.Cl.Clc1nccn2cccc12.NC(=O)[C@]1(NC(=O)c2ccn(-c3ccc(F)cc3)n2)CCN(c2nccn3cccc23)C1.O=C(N[C@@]1(C(=O)O)CCN(c2nccn3cccc23)C1)c1ccn(-c2ccc(F)cc2)n1.O=C(O)c1ccn(-c2ccc(F)cc2)n1.

What is the InChIKey of N-[(3S)-3-carbamoyl-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1-(4-fluorophenyl)pyrazole-3-carboxamide;1-chloropyrrolo[1,2-a]pyrazine;ethyl 3-amino-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylate;ethyl (3S)-3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylate;ethyl 3-methylpyrrolidine-3-carboxylate;ethyl 3-methyl-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylate;(3S)-3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylic acid;1-(4-fluorophenyl)pyrazole-3-carboxylic acid;methane;hydrochloride?

The InChIKey is VAIWRNUJRBYYAR-NEMBQKABSA-N. The full InChI is InChI=1S/C24H23FN6O3.C22H20FN7O2.C22H19FN6O3.C15H19N3O2.C14H18N4O2.C10H7FN2O2.C8H15NO2.C7H5ClN2.CH4.ClH/c1-2-34-23(33)24(10-14-30(16-24)21-20-4-3-12-29(20)15-11-26-21)27-22(32)19-9-13-31(28-19)18-7-5-17(25)6-8-18;23-15-3-5-16(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;1-3-20-14(19)15(2)6-9-18(11-15)13-12-5-4-8-17(12)10-7-16-13;1-2-20-13(19)14(15)5-8-18(10-14)12-11-4-3-7-17(11)9-6-16-12;11-7-1-3-8(4-2-7)13-6-5-9(12-13)10(14)15;1-3-11-7(10)8(2)4-5-9-6-8;8-7-6-2-1-4-10(6)5-3-9-7;;/h3-9,11-13,15H,2,10,14,16H2,1H3,(H,27,32);1-7,9-11,13H,8,12,14H2,(H2,24,32)(H,26,31);1-7,9-11,13H,8,12,14H2,(H,25,30)(H,31,32);4-5,7-8,10H,3,6,9,11H2,1-2H3;3-4,6-7,9H,2,5,8,10,15H2,1H3;1-6H,(H,14,15);9H,3-6H2,1-2H3;1-5H;1H4;1H/t24-;2*22-;;;;;;;/m000......./s1.

What are the key properties of N-[(3S)-3-carbamoyl-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1-(4-fluorophenyl)pyrazole-3-carboxamide;1-chloropyrrolo[1,2-a]pyrazine;ethyl 3-amino-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylate;ethyl (3S)-3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylate;ethyl 3-methylpyrrolidine-3-carboxylate;ethyl 3-methyl-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylate;(3S)-3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylic acid;1-(4-fluorophenyl)pyrazole-3-carboxylic acid;methane;hydrochloride?

N-[(3S)-3-carbamoyl-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1-(4-fluorophenyl)pyrazole-3-carboxamide;1-chloropyrrolo[1,2-a]pyrazine;ethyl 3-amino-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylate;ethyl (3S)-3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylate;ethyl 3-methylpyrrolidine-3-carboxylate;ethyl 3-methyl-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylate;(3S)-3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylic acid;1-(4-fluorophenyl)pyrazole-3-carboxylic acid;methane;hydrochloride has a molecular weight of 2446.50 g/mol, XLogP of 14.47, 26 rotatable bonds, 8 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S)-3-carbamoyl-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1-(4-fluorophenyl)pyrazole-3-carboxamide;1-chloropyrrolo[1,2-a]pyrazine;ethyl 3-amino-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylate;ethyl (3S)-3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylate;ethyl 3-methylpyrrolidine-3-carboxylate;ethyl 3-methyl-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylate;(3S)-3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylic acid;1-(4-fluorophenyl)pyrazole-3-carboxylic acid;methane;hydrochloride is sourced from PubChem (CID 161160679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).