5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-(4-propylpiperazin-1-yl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;methyl(piperazin-1-yl)borinic acid;methyl-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]borinic acid;1-(6-nitro-3-pyridinyl)-4-propylpiperazine;propanal;5-(4-propylpiperazin-1-yl)pyridin-2-amine;1-(3,3,3-trifluoropropyl)piperazine;hydrochloride

C109H144B2BrCl2F10N23O13 — CID 160603066

About 5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-(4-propylpiperazin-1-yl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;methyl(piperazin-1-yl)borinic acid;methyl-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]borinic acid;1-(6-nitro-3-pyridinyl)-4-propylpiperazine;propanal;5-(4-propylpiperazin-1-yl)pyridin-2-amine;1-(3,3,3-trifluoropropyl)piperazine;hydrochloride

5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-(4-propylpiperazin-1-yl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;methyl(piperazin-1-yl)borinic acid;methyl-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]borinic acid;1-(6-nitro-3-pyridinyl)-4-propylpiperazine;propanal;5-(4-propylpiperazin-1-yl)pyridin-2-amine;1-(3,3,3-trifluoropropyl)piperazine;hydrochloride (PubChem CID 160603066) has the molecular formula C109H144B2BrCl2F10N23O13 and a molecular weight of 2346.91 g/mol. Its IUPAC name is 5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-(4-propylpiperazin-1-yl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;methyl(piperazin-1-yl)borinic acid;methyl-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]borinic acid;1-(6-nitro-3-pyridinyl)-4-propylpiperazine;propanal;5-(4-propylpiperazin-1-yl)pyridin-2-amine;1-(3,3,3-trifluoropropyl)piperazine;hydrochloride.

Molecular Properties

• Compound Name: 5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-(4-propylpiperazin-1-yl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;methyl(piperazin-1-yl)borinic acid;methyl-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]borinic acid;1-(6-nitro-3-pyridinyl)-4-propylpiperazine;propanal;5-(4-propylpiperazin-1-yl)pyridin-2-amine;1-(3,3,3-trifluoropropyl)piperazine;hydrochloride
• PubChem CID: 160603066
• Molecular Formula: C109H144B2BrCl2F10N23O13
• Molecular Weight: 2346.91 g/mol
• Exact Mass: 2343.99
• IUPAC Name: 5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-(4-propylpiperazin-1-yl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;methyl(piperazin-1-yl)borinic acid;methyl-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]borinic acid;1-(6-nitro-3-pyridinyl)-4-propylpiperazine;propanal;5-(4-propylpiperazin-1-yl)pyridin-2-amine;1-(3,3,3-trifluoropropyl)piperazine;hydrochloride
• SMILES: CB(O)N1CCN(CCC(F)(F)F)CC1.CB(O)N1CCNCC1.CCC=O.CCCN1CCN(c2ccc(Cc3cc(-c4c(F)cccc4F)nc4c3C(=O)N(Cc3ccc(OC)cc3OC)C4)nc2)CC1.CCCN1CCN(c2ccc(N)nc2)CC1.CCCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1.COc1ccc(CN2Cc3nc(-c4c(F)cccc4F)cc(Cl)c3C2=O)c(OC)c1.Cl.FC(F)(F)CCN1CCNCC1.O=[N+]([O-])c1ccc(Br)cn1
• InChI: InChI=1S/C35H37F2N5O3.C22H17ClF2N2O3.C12H18N4O2.C12H20N4.C8H16BF3N2O.C7H13F3N2.C5H13BN2O.C5H3BrN2O2.C3H6O.ClH/c1-4-12-40-13-15-41(16-14-40)26-10-9-25(38-20-26)17-24-18-30(34-28(36)6-5-7-29(34)37)39-31-22-42(35(43)33(24)31)21-23-8-11-27(44-2)19-32(23)45-3;1-29-13-7-6-12(19(8-13)30-2)10-27-11-18-20(22(27)28)14(23)9-17(26-18)21-15(24)4-3-5-16(21)25;1-2-5-14-6-8-15(9-7-14)11-3-4-12(13-10-11)16(17)18;1-2-5-15-6-8-16(9-7-15)11-3-4-12(13)14-10-11;1-9(15)14-6-4-13(5-7-14)3-2-8(10,11)12;8-7(9,10)1-4-12-5-2-11-3-6-12;1-6(9)8-4-2-7-3-5-8;6-4-1-2-5(7-3-4)8(9)10;1-2-3-4;/h5-11,18-20H,4,12-17,21-22H2,1-3H3;3-9H,10-11H2,1-2H3;3-4,10H,2,5-9H2,1H3;3-4,10H,2,5-9H2,1H3,(H2,13,14);15H,2-7H2,1H3;11H,1-6H2;7,9H,2-5H2,1H3;1-3H;3H,2H2,1H3;1H
• InChIKey: VAKBNNIEMGMVTN-UHFFFAOYSA-N
• XLogP: 16.57
• TPSA: 381.17 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 30
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2346.91
LogP ≤ 5	16.57
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-(4-propylpiperazin-1-yl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;methyl(piperazin-1-yl)borinic acid;methyl-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]borinic acid;1-(6-nitro-3-pyridinyl)-4-propylpiperazine;propanal;5-(4-propylpiperazin-1-yl)pyridin-2-amine;1-(3,3,3-trifluoropropyl)piperazine;hydrochloride?

The IUPAC name of 5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-(4-propylpiperazin-1-yl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;methyl(piperazin-1-yl)borinic acid;methyl-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]borinic acid;1-(6-nitro-3-pyridinyl)-4-propylpiperazine;propanal;5-(4-propylpiperazin-1-yl)pyridin-2-amine;1-(3,3,3-trifluoropropyl)piperazine;hydrochloride (CID 160603066) is 5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-(4-propylpiperazin-1-yl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;methyl(piperazin-1-yl)borinic acid;methyl-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]borinic acid;1-(6-nitro-3-pyridinyl)-4-propylpiperazine;propanal;5-(4-propylpiperazin-1-yl)pyridin-2-amine;1-(3,3,3-trifluoropropyl)piperazine;hydrochloride.

What is the SMILES notation for 5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-(4-propylpiperazin-1-yl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;methyl(piperazin-1-yl)borinic acid;methyl-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]borinic acid;1-(6-nitro-3-pyridinyl)-4-propylpiperazine;propanal;5-(4-propylpiperazin-1-yl)pyridin-2-amine;1-(3,3,3-trifluoropropyl)piperazine;hydrochloride?

The canonical SMILES for 5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-(4-propylpiperazin-1-yl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;methyl(piperazin-1-yl)borinic acid;methyl-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]borinic acid;1-(6-nitro-3-pyridinyl)-4-propylpiperazine;propanal;5-(4-propylpiperazin-1-yl)pyridin-2-amine;1-(3,3,3-trifluoropropyl)piperazine;hydrochloride is CB(O)N1CCN(CCC(F)(F)F)CC1.CB(O)N1CCNCC1.CCC=O.CCCN1CCN(c2ccc(Cc3cc(-c4c(F)cccc4F)nc4c3C(=O)N(Cc3ccc(OC)cc3OC)C4)nc2)CC1.CCCN1CCN(c2ccc(N)nc2)CC1.CCCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1.COc1ccc(CN2Cc3nc(-c4c(F)cccc4F)cc(Cl)c3C2=O)c(OC)c1.Cl.FC(F)(F)CCN1CCNCC1.O=[N+]([O-])c1ccc(Br)cn1.

What is the InChIKey of 5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-(4-propylpiperazin-1-yl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;methyl(piperazin-1-yl)borinic acid;methyl-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]borinic acid;1-(6-nitro-3-pyridinyl)-4-propylpiperazine;propanal;5-(4-propylpiperazin-1-yl)pyridin-2-amine;1-(3,3,3-trifluoropropyl)piperazine;hydrochloride?

The InChIKey is VAKBNNIEMGMVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37F2N5O3.C22H17ClF2N2O3.C12H18N4O2.C12H20N4.C8H16BF3N2O.C7H13F3N2.C5H13BN2O.C5H3BrN2O2.C3H6O.ClH/c1-4-12-40-13-15-41(16-14-40)26-10-9-25(38-20-26)17-24-18-30(34-28(36)6-5-7-29(34)37)39-31-22-42(35(43)33(24)31)21-23-8-11-27(44-2)19-32(23)45-3;1-29-13-7-6-12(19(8-13)30-2)10-27-11-18-20(22(27)28)14(23)9-17(26-18)21-15(24)4-3-5-16(21)25;1-2-5-14-6-8-15(9-7-14)11-3-4-12(13-10-11)16(17)18;1-2-5-15-6-8-16(9-7-15)11-3-4-12(13)14-10-11;1-9(15)14-6-4-13(5-7-14)3-2-8(10,11)12;8-7(9,10)1-4-12-5-2-11-3-6-12;1-6(9)8-4-2-7-3-5-8;6-4-1-2-5(7-3-4)8(9)10;1-2-3-4;/h5-11,18-20H,4,12-17,21-22H2,1-3H3;3-9H,10-11H2,1-2H3;3-4,10H,2,5-9H2,1H3;3-4,10H,2,5-9H2,1H3,(H2,13,14);15H,2-7H2,1H3;11H,1-6H2;7,9H,2-5H2,1H3;1-3H;3H,2H2,1H3;1H.

What are the key properties of 5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-(4-propylpiperazin-1-yl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;methyl(piperazin-1-yl)borinic acid;methyl-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]borinic acid;1-(6-nitro-3-pyridinyl)-4-propylpiperazine;propanal;5-(4-propylpiperazin-1-yl)pyridin-2-amine;1-(3,3,3-trifluoropropyl)piperazine;hydrochloride?

5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-(4-propylpiperazin-1-yl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;methyl(piperazin-1-yl)borinic acid;methyl-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]borinic acid;1-(6-nitro-3-pyridinyl)-4-propylpiperazine;propanal;5-(4-propylpiperazin-1-yl)pyridin-2-amine;1-(3,3,3-trifluoropropyl)piperazine;hydrochloride has a molecular weight of 2346.91 g/mol, XLogP of 16.57, 30 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-(4-propylpiperazin-1-yl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;methyl(piperazin-1-yl)borinic acid;methyl-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]borinic acid;1-(6-nitro-3-pyridinyl)-4-propylpiperazine;propanal;5-(4-propylpiperazin-1-yl)pyridin-2-amine;1-(3,3,3-trifluoropropyl)piperazine;hydrochloride is sourced from PubChem (CID 160603066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).