(3R)-3-amino-1-methylpyrrolidin-2-one;5-chloro-6-[2-[(12-fluoro-5-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)carbamoyl]hydrazinyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide;5-chloro-6-[2-[(12-fluoro-5-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)carbamoyl]hydrazinyl]pyridine-3-carboxylic acid;hydrochloride

C52H53Cl3F2N14O7 — CID 158830588

About (3R)-3-amino-1-methylpyrrolidin-2-one;5-chloro-6-[2-[(12-fluoro-5-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)carbamoyl]hydrazinyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide;5-chloro-6-[2-[(12-fluoro-5-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)carbamoyl]hydrazinyl]pyridine-3-carboxylic acid;hydrochloride

(3R)-3-amino-1-methylpyrrolidin-2-one;5-chloro-6-[2-[(12-fluoro-5-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)carbamoyl]hydrazinyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide;5-chloro-6-[2-[(12-fluoro-5-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)carbamoyl]hydrazinyl]pyridine-3-carboxylic acid;hydrochloride (PubChem CID 158830588) has the molecular formula C52H53Cl3F2N14O7 and a molecular weight of 1130.44 g/mol. Its IUPAC name is (3R)-3-amino-1-methylpyrrolidin-2-one;5-chloro-6-[2-[(12-fluoro-5-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)carbamoyl]hydrazinyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide;5-chloro-6-[2-[(12-fluoro-5-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)carbamoyl]hydrazinyl]pyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

• Compound Name: (3R)-3-amino-1-methylpyrrolidin-2-one;5-chloro-6-[2-[(12-fluoro-5-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)carbamoyl]hydrazinyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide;5-chloro-6-[2-[(12-fluoro-5-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)carbamoyl]hydrazinyl]pyridine-3-carboxylic acid;hydrochloride
• PubChem CID: 158830588
• Molecular Formula: C52H53Cl3F2N14O7
• Molecular Weight: 1130.44 g/mol
• Exact Mass: 1128.33
• IUPAC Name: (3R)-3-amino-1-methylpyrrolidin-2-one;5-chloro-6-[2-[(12-fluoro-5-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)carbamoyl]hydrazinyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide;5-chloro-6-[2-[(12-fluoro-5-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)carbamoyl]hydrazinyl]pyridine-3-carboxylic acid;hydrochloride
• SMILES: CN1CCC(NC(=O)c2cnc(NNC(=O)NC3c4cnccc4CCc4c(F)cccc43)c(Cl)c2)C1=O.CN1CC[C@@H](N)C1=O.Cl.O=C(NNc1ncc(C(=O)O)cc1Cl)NC1c2cnccc2CCc2c(F)cccc21
• InChI: InChI=1S/C26H25ClFN7O3.C21H17ClFN5O3.C5H10N2O.ClH/c1-35-10-8-21(25(35)37)31-24(36)15-11-19(27)23(30-12-15)33-34-26(38)32-22-17-3-2-4-20(28)16(17)6-5-14-7-9-29-13-18(14)22;22-16-8-12(20(29)30)9-25-19(16)27-28-21(31)26-18-14-2-1-3-17(23)13(14)5-4-11-6-7-24-10-15(11)18;1-7-3-2-4(6)5(7)8;/h2-4,7,9,11-13,21-22H,5-6,8,10H2,1H3,(H,30,33)(H,31,36)(H2,32,34,38);1-3,6-10,18H,4-5H2,(H,25,27)(H,29,30)(H2,26,28,31);4H,2-3,6H2,1H3;1H/t;;4-;/m..1./s1
• InChIKey: FUWNKSCKSMNZLT-OPIPXBFGSA-N
• XLogP: 5.82
• TPSA: 290.92 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1130.44
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1-methylpyrrolidin-2-one;5-chloro-6-[2-[(12-fluoro-5-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)carbamoyl]hydrazinyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide;5-chloro-6-[2-[(12-fluoro-5-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)carbamoyl]hydrazinyl]pyridine-3-carboxylic acid;hydrochloride?

The IUPAC name of (3R)-3-amino-1-methylpyrrolidin-2-one;5-chloro-6-[2-[(12-fluoro-5-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)carbamoyl]hydrazinyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide;5-chloro-6-[2-[(12-fluoro-5-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)carbamoyl]hydrazinyl]pyridine-3-carboxylic acid;hydrochloride (CID 158830588) is (3R)-3-amino-1-methylpyrrolidin-2-one;5-chloro-6-[2-[(12-fluoro-5-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)carbamoyl]hydrazinyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide;5-chloro-6-[2-[(12-fluoro-5-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)carbamoyl]hydrazinyl]pyridine-3-carboxylic acid;hydrochloride.

What is the SMILES notation for (3R)-3-amino-1-methylpyrrolidin-2-one;5-chloro-6-[2-[(12-fluoro-5-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)carbamoyl]hydrazinyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide;5-chloro-6-[2-[(12-fluoro-5-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)carbamoyl]hydrazinyl]pyridine-3-carboxylic acid;hydrochloride?

The canonical SMILES for (3R)-3-amino-1-methylpyrrolidin-2-one;5-chloro-6-[2-[(12-fluoro-5-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)carbamoyl]hydrazinyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide;5-chloro-6-[2-[(12-fluoro-5-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)carbamoyl]hydrazinyl]pyridine-3-carboxylic acid;hydrochloride is CN1CCC(NC(=O)c2cnc(NNC(=O)NC3c4cnccc4CCc4c(F)cccc43)c(Cl)c2)C1=O.CN1CC[C@@H](N)C1=O.Cl.O=C(NNc1ncc(C(=O)O)cc1Cl)NC1c2cnccc2CCc2c(F)cccc21.

What is the InChIKey of (3R)-3-amino-1-methylpyrrolidin-2-one;5-chloro-6-[2-[(12-fluoro-5-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)carbamoyl]hydrazinyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide;5-chloro-6-[2-[(12-fluoro-5-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)carbamoyl]hydrazinyl]pyridine-3-carboxylic acid;hydrochloride?

The InChIKey is FUWNKSCKSMNZLT-OPIPXBFGSA-N. The full InChI is InChI=1S/C26H25ClFN7O3.C21H17ClFN5O3.C5H10N2O.ClH/c1-35-10-8-21(25(35)37)31-24(36)15-11-19(27)23(30-12-15)33-34-26(38)32-22-17-3-2-4-20(28)16(17)6-5-14-7-9-29-13-18(14)22;22-16-8-12(20(29)30)9-25-19(16)27-28-21(31)26-18-14-2-1-3-17(23)13(14)5-4-11-6-7-24-10-15(11)18;1-7-3-2-4(6)5(7)8;/h2-4,7,9,11-13,21-22H,5-6,8,10H2,1H3,(H,30,33)(H,31,36)(H2,32,34,38);1-3,6-10,18H,4-5H2,(H,25,27)(H,29,30)(H2,26,28,31);4H,2-3,6H2,1H3;1H/t;;4-;/m..1./s1.

What are the key properties of (3R)-3-amino-1-methylpyrrolidin-2-one;5-chloro-6-[2-[(12-fluoro-5-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)carbamoyl]hydrazinyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide;5-chloro-6-[2-[(12-fluoro-5-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)carbamoyl]hydrazinyl]pyridine-3-carboxylic acid;hydrochloride?

(3R)-3-amino-1-methylpyrrolidin-2-one;5-chloro-6-[2-[(12-fluoro-5-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)carbamoyl]hydrazinyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide;5-chloro-6-[2-[(12-fluoro-5-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)carbamoyl]hydrazinyl]pyridine-3-carboxylic acid;hydrochloride has a molecular weight of 1130.44 g/mol, XLogP of 5.82, 9 rotatable bonds, 9 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-amino-1-methylpyrrolidin-2-one;5-chloro-6-[2-[(12-fluoro-5-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)carbamoyl]hydrazinyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide;5-chloro-6-[2-[(12-fluoro-5-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)carbamoyl]hydrazinyl]pyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 158830588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).