sodium;N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;3-bromoprop-1-yne;tert-butyl N,N-bis(prop-2-ynyl)carbamate;tert-butyl carbamate;tert-butyl 6-(chloromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate;2-chloroacetonitrile;N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;hydride;methane;6-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine;phenyl N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-N-phenoxycarbonylcarbamate;hydrochloride

C121H129BrCl3F6N22NaO18 — CID 167618875

About sodium;N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;3-bromoprop-1-yne;tert-butyl N,N-bis(prop-2-ynyl)carbamate;tert-butyl carbamate;tert-butyl 6-(chloromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate;2-chloroacetonitrile;N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;hydride;methane;6-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine;phenyl N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-N-phenoxycarbonylcarbamate;hydrochloride

sodium;N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;3-bromoprop-1-yne;tert-butyl N,N-bis(prop-2-ynyl)carbamate;tert-butyl carbamate;tert-butyl 6-(chloromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate;2-chloroacetonitrile;N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;hydride;methane;6-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine;phenyl N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-N-phenoxycarbonylcarbamate;hydrochloride (PubChem CID 167618875) has the molecular formula C121H129BrCl3F6N22NaO18 and a molecular weight of 2502.74 g/mol. Its IUPAC name is sodium;N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;3-bromoprop-1-yne;tert-butyl N,N-bis(prop-2-ynyl)carbamate;tert-butyl carbamate;tert-butyl 6-(chloromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate;2-chloroacetonitrile;N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;hydride;methane;6-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine;phenyl N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-N-phenoxycarbonylcarbamate;hydrochloride.

Molecular Properties

• Compound Name: sodium;N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;3-bromoprop-1-yne;tert-butyl N,N-bis(prop-2-ynyl)carbamate;tert-butyl carbamate;tert-butyl 6-(chloromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate;2-chloroacetonitrile;N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;hydride;methane;6-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine;phenyl N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-N-phenoxycarbonylcarbamate;hydrochloride
• PubChem CID: 167618875
• Molecular Formula: C121H129BrCl3F6N22NaO18
• Molecular Weight: 2502.74 g/mol
• Exact Mass: 2498.79
• IUPAC Name: sodium;N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;3-bromoprop-1-yne;tert-butyl N,N-bis(prop-2-ynyl)carbamate;tert-butyl carbamate;tert-butyl 6-(chloromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate;2-chloroacetonitrile;N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;hydride;methane;6-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine;phenyl N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-N-phenoxycarbonylcarbamate;hydrochloride
• SMILES: C.C#CCBr.C#CCN(CC#C)C(=O)OC(C)(C)C.CC(C)(C)OC(=O)N1Cc2cnc(CCl)cc2C1.CC(C)(C)OC(N)=O.Cc1cc2c(cn1)CN(C(=O)Nc1nc(-c3ccc(F)cc3F)ccc1N)C2.Cc1cc2c(cn1)CN(C(=O)Nc1nc(-c3ccc(F)cc3F)ccc1[N+](=O)[O-])C2.Cc1cc2c(cn1)CN(C(=O)OC(C)(C)C)C2.Cc1cc2c(cn1)CNC2.Cl.N#CCCl.O=C(Oc1ccccc1)N(C(=O)Oc1ccccc1)c1nc(-c2ccc(F)cc2F)ccc1[N+](=O)[O-].[H-].[Na+]
• InChI: InChI=1S/C25H15F2N3O6.C20H15F2N5O3.C20H17F2N5O.C13H17ClN2O2.C13H18N2O2.C11H15NO2.C8H10N2.C5H11NO2.C3H3Br.C2H2ClN.CH4.ClH.Na.H/c26-16-11-12-19(20(27)15-16)21-13-14-22(30(33)34)23(28-21)29(24(31)35-17-7-3-1-4-8-17)25(32)36-18-9-5-2-6-10-18;1-11-6-12-9-26(10-13(12)8-23-11)20(28)25-19-18(27(29)30)5-4-17(24-19)15-3-2-14(21)7-16(15)22;1-11-6-12-9-27(10-13(12)8-24-11)20(28)26-19-17(23)4-5-18(25-19)15-3-2-14(21)7-16(15)22;1-13(2,3)18-12(17)16-7-9-4-11(5-14)15-6-10(9)8-16;1-9-5-10-7-15(8-11(10)6-14-9)12(16)17-13(2,3)4;1-6-8-12(9-7-2)10(13)14-11(3,4)5;1-6-2-7-3-9-4-8(7)5-10-6;1-5(2,3)8-4(6)7;1-2-3-4;3-1-2-4;;;;/h1-15H;2-8H,9-10H2,1H3,(H,24,25,28);2-8H,9-10,23H2,1H3,(H,25,26,28);4,6H,5,7-8H2,1-3H3;5-6H,7-8H2,1-4H3;1-2H,8-9H2,3-5H3;2,5,9H,3-4H2,1H3;1-3H3,(H2,6,7);1H,3H2;1H2;1H4;1H;;/q;;;;;;;;;;;;+1;-1
• InChIKey: DIVUOADHCFDQNL-UHFFFAOYSA-N
• XLogP: 23.20
• TPSA: 512.70 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 13
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2502.74
LogP ≤ 5	23.20
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;3-bromoprop-1-yne;tert-butyl N,N-bis(prop-2-ynyl)carbamate;tert-butyl carbamate;tert-butyl 6-(chloromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate;2-chloroacetonitrile;N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;hydride;methane;6-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine;phenyl N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-N-phenoxycarbonylcarbamate;hydrochloride?

The IUPAC name of sodium;N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;3-bromoprop-1-yne;tert-butyl N,N-bis(prop-2-ynyl)carbamate;tert-butyl carbamate;tert-butyl 6-(chloromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate;2-chloroacetonitrile;N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;hydride;methane;6-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine;phenyl N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-N-phenoxycarbonylcarbamate;hydrochloride (CID 167618875) is sodium;N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;3-bromoprop-1-yne;tert-butyl N,N-bis(prop-2-ynyl)carbamate;tert-butyl carbamate;tert-butyl 6-(chloromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate;2-chloroacetonitrile;N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;hydride;methane;6-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine;phenyl N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-N-phenoxycarbonylcarbamate;hydrochloride.

What is the SMILES notation for sodium;N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;3-bromoprop-1-yne;tert-butyl N,N-bis(prop-2-ynyl)carbamate;tert-butyl carbamate;tert-butyl 6-(chloromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate;2-chloroacetonitrile;N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;hydride;methane;6-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine;phenyl N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-N-phenoxycarbonylcarbamate;hydrochloride?

The canonical SMILES for sodium;N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;3-bromoprop-1-yne;tert-butyl N,N-bis(prop-2-ynyl)carbamate;tert-butyl carbamate;tert-butyl 6-(chloromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate;2-chloroacetonitrile;N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;hydride;methane;6-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine;phenyl N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-N-phenoxycarbonylcarbamate;hydrochloride is C.C#CCBr.C#CCN(CC#C)C(=O)OC(C)(C)C.CC(C)(C)OC(=O)N1Cc2cnc(CCl)cc2C1.CC(C)(C)OC(N)=O.Cc1cc2c(cn1)CN(C(=O)Nc1nc(-c3ccc(F)cc3F)ccc1N)C2.Cc1cc2c(cn1)CN(C(=O)Nc1nc(-c3ccc(F)cc3F)ccc1[N+](=O)[O-])C2.Cc1cc2c(cn1)CN(C(=O)OC(C)(C)C)C2.Cc1cc2c(cn1)CNC2.Cl.N#CCCl.O=C(Oc1ccccc1)N(C(=O)Oc1ccccc1)c1nc(-c2ccc(F)cc2F)ccc1[N+](=O)[O-].[H-].[Na+].

What is the InChIKey of sodium;N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;3-bromoprop-1-yne;tert-butyl N,N-bis(prop-2-ynyl)carbamate;tert-butyl carbamate;tert-butyl 6-(chloromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate;2-chloroacetonitrile;N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;hydride;methane;6-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine;phenyl N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-N-phenoxycarbonylcarbamate;hydrochloride?

The InChIKey is DIVUOADHCFDQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15F2N3O6.C20H15F2N5O3.C20H17F2N5O.C13H17ClN2O2.C13H18N2O2.C11H15NO2.C8H10N2.C5H11NO2.C3H3Br.C2H2ClN.CH4.ClH.Na.H/c26-16-11-12-19(20(27)15-16)21-13-14-22(30(33)34)23(28-21)29(24(31)35-17-7-3-1-4-8-17)25(32)36-18-9-5-2-6-10-18;1-11-6-12-9-26(10-13(12)8-23-11)20(28)25-19-18(27(29)30)5-4-17(24-19)15-3-2-14(21)7-16(15)22;1-11-6-12-9-27(10-13(12)8-24-11)20(28)26-19-17(23)4-5-18(25-19)15-3-2-14(21)7-16(15)22;1-13(2,3)18-12(17)16-7-9-4-11(5-14)15-6-10(9)8-16;1-9-5-10-7-15(8-11(10)6-14-9)12(16)17-13(2,3)4;1-6-8-12(9-7-2)10(13)14-11(3,4)5;1-6-2-7-3-9-4-8(7)5-10-6;1-5(2,3)8-4(6)7;1-2-3-4;3-1-2-4;;;;/h1-15H;2-8H,9-10H2,1H3,(H,24,25,28);2-8H,9-10,23H2,1H3,(H,25,26,28);4,6H,5,7-8H2,1-3H3;5-6H,7-8H2,1-4H3;1-2H,8-9H2,3-5H3;2,5,9H,3-4H2,1H3;1-3H3,(H2,6,7);1H,3H2;1H2;1H4;1H;;/q;;;;;;;;;;;;+1;-1.

What are the key properties of sodium;N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;3-bromoprop-1-yne;tert-butyl N,N-bis(prop-2-ynyl)carbamate;tert-butyl carbamate;tert-butyl 6-(chloromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate;2-chloroacetonitrile;N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;hydride;methane;6-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine;phenyl N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-N-phenoxycarbonylcarbamate;hydrochloride?

sodium;N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;3-bromoprop-1-yne;tert-butyl N,N-bis(prop-2-ynyl)carbamate;tert-butyl carbamate;tert-butyl 6-(chloromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate;2-chloroacetonitrile;N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;hydride;methane;6-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine;phenyl N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-N-phenoxycarbonylcarbamate;hydrochloride has a molecular weight of 2502.74 g/mol, XLogP of 23.20, 13 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;3-bromoprop-1-yne;tert-butyl N,N-bis(prop-2-ynyl)carbamate;tert-butyl carbamate;tert-butyl 6-(chloromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate;2-chloroacetonitrile;N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;hydride;methane;6-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine;phenyl N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-N-phenoxycarbonylcarbamate;hydrochloride is sourced from PubChem (CID 167618875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).