carbanide;1-cyclopentyl-2-[4-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]ethanone;4-(2,6-dichlorophenyl)-3,5,11,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),3,7(12),8,10,15,17-octaene;N,N-dicyclopropyl-4-[(1,5-dimethylpyrazol-3-yl)amino]-6-ethyl-1-methylpyrrolo[3,2-e]benzimidazole-7-carboxamide;4-[[2,6-difluoro-4-[3-(1-piperidin-4-ylpyrazol-4-yl)quinoxalin-5-yl]phenyl]methyl]morpholine;methane;(2R)-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;vanadium

C117H124Cl2F5N28O5V- — CID 158042345

About carbanide;1-cyclopentyl-2-[4-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]ethanone;4-(2,6-dichlorophenyl)-3,5,11,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),3,7(12),8,10,15,17-octaene;N,N-dicyclopropyl-4-[(1,5-dimethylpyrazol-3-yl)amino]-6-ethyl-1-methylpyrrolo[3,2-e]benzimidazole-7-carboxamide;4-[[2,6-difluoro-4-[3-(1-piperidin-4-ylpyrazol-4-yl)quinoxalin-5-yl]phenyl]methyl]morpholine;methane;(2R)-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;vanadium

carbanide;1-cyclopentyl-2-[4-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]ethanone;4-(2,6-dichlorophenyl)-3,5,11,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),3,7(12),8,10,15,17-octaene;N,N-dicyclopropyl-4-[(1,5-dimethylpyrazol-3-yl)amino]-6-ethyl-1-methylpyrrolo[3,2-e]benzimidazole-7-carboxamide;4-[[2,6-difluoro-4-[3-(1-piperidin-4-ylpyrazol-4-yl)quinoxalin-5-yl]phenyl]methyl]morpholine;methane;(2R)-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;vanadium (PubChem CID 158042345) has the molecular formula C117H124Cl2F5N28O5V- and a molecular weight of 2219.31 g/mol. Its IUPAC name is carbanide;1-cyclopentyl-2-[4-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]ethanone;4-(2,6-dichlorophenyl)-3,5,11,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),3,7(12),8,10,15,17-octaene;N,N-dicyclopropyl-4-[(1,5-dimethylpyrazol-3-yl)amino]-6-ethyl-1-methylpyrrolo[3,2-e]benzimidazole-7-carboxamide;4-[[2,6-difluoro-4-[3-(1-piperidin-4-ylpyrazol-4-yl)quinoxalin-5-yl]phenyl]methyl]morpholine;methane;(2R)-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;vanadium.

Molecular Properties

• Compound Name: carbanide;1-cyclopentyl-2-[4-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]ethanone;4-(2,6-dichlorophenyl)-3,5,11,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),3,7(12),8,10,15,17-octaene;N,N-dicyclopropyl-4-[(1,5-dimethylpyrazol-3-yl)amino]-6-ethyl-1-methylpyrrolo[3,2-e]benzimidazole-7-carboxamide;4-[[2,6-difluoro-4-[3-(1-piperidin-4-ylpyrazol-4-yl)quinoxalin-5-yl]phenyl]methyl]morpholine;methane;(2R)-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;vanadium
• PubChem CID: 158042345
• Molecular Formula: C117H124Cl2F5N28O5V-
• Molecular Weight: 2219.31 g/mol
• Exact Mass: 2216.91
• IUPAC Name: carbanide;1-cyclopentyl-2-[4-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]ethanone;4-(2,6-dichlorophenyl)-3,5,11,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),3,7(12),8,10,15,17-octaene;N,N-dicyclopropyl-4-[(1,5-dimethylpyrazol-3-yl)amino]-6-ethyl-1-methylpyrrolo[3,2-e]benzimidazole-7-carboxamide;4-[[2,6-difluoro-4-[3-(1-piperidin-4-ylpyrazol-4-yl)quinoxalin-5-yl]phenyl]methyl]morpholine;methane;(2R)-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;vanadium
• SMILES: C.CC[C@@](C)(Nc1ccnc(-c2c[nH]c3ncccc23)n1)C(=O)NCC(F)(F)F.CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(Nc3cc(C)n(C)n3)cc21.Clc1cccc(Cl)c1-c1nc2c([nH]1)-c1cccnc1Nc1ncccc1-2.Fc1cc(-c2cccc3ncc(-c4cnn(C5CCNCC5)c4)nc23)cc(F)c1CN1CCOCC1.O=C(Cc1ccc(-c2cncc(Nc3ccc(N4CCOCC4)cc3)n2)cc1)C1CCCC1.[CH3-].[V]
• InChI: InChI=1S/C27H28F2N6O.C27H30N4O2.C24H29N7O.C19H11Cl2N5.C18H19F3N6O.CH4.CH3.V/c28-23-12-18(13-24(29)22(23)17-34-8-10-36-11-9-34)21-2-1-3-25-27(21)33-26(15-31-25)19-14-32-35(16-19)20-4-6-30-7-5-20;32-26(22-3-1-2-4-22)17-20-5-7-21(8-6-20)25-18-28-19-27(30-25)29-23-9-11-24(12-10-23)31-13-15-33-16-14-31;1-5-30-19-12-18(26-21-10-14(2)29(4)27-21)22-23(28(3)13-25-22)17(19)11-20(30)24(32)31(15-6-7-15)16-8-9-16;20-12-6-1-7-13(21)14(12)19-24-15-10-4-2-8-22-17(10)26-18-11(16(15)25-19)5-3-9-23-18;1-3-17(2,16(28)25-10-18(19,20)21)27-13-6-8-23-15(26-13)12-9-24-14-11(12)5-4-7-22-14;;;/h1-3,12-16,20,30H,4-11,17H2;5-12,18-19,22H,1-4,13-17H2,(H,29,30);10-13,15-16H,5-9H2,1-4H3,(H,26,27);1-9H,(H,24,25)(H,22,23,26);4-9H,3,10H2,1-2H3,(H,22,24)(H,25,28)(H,23,26,27);1H4;1H3;/q;;;;;;-1;/t;;;;17-;;;/m....1.../s1
• InChIKey: CVRSIRIMFRSAAB-QMNIZFPESA-N
• XLogP: 23.25
• TPSA: 370.44 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 25
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2219.31
LogP ≤ 5	23.25
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanide;1-cyclopentyl-2-[4-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]ethanone;4-(2,6-dichlorophenyl)-3,5,11,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),3,7(12),8,10,15,17-octaene;N,N-dicyclopropyl-4-[(1,5-dimethylpyrazol-3-yl)amino]-6-ethyl-1-methylpyrrolo[3,2-e]benzimidazole-7-carboxamide;4-[[2,6-difluoro-4-[3-(1-piperidin-4-ylpyrazol-4-yl)quinoxalin-5-yl]phenyl]methyl]morpholine;methane;(2R)-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;vanadium?

The IUPAC name of carbanide;1-cyclopentyl-2-[4-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]ethanone;4-(2,6-dichlorophenyl)-3,5,11,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),3,7(12),8,10,15,17-octaene;N,N-dicyclopropyl-4-[(1,5-dimethylpyrazol-3-yl)amino]-6-ethyl-1-methylpyrrolo[3,2-e]benzimidazole-7-carboxamide;4-[[2,6-difluoro-4-[3-(1-piperidin-4-ylpyrazol-4-yl)quinoxalin-5-yl]phenyl]methyl]morpholine;methane;(2R)-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;vanadium (CID 158042345) is carbanide;1-cyclopentyl-2-[4-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]ethanone;4-(2,6-dichlorophenyl)-3,5,11,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),3,7(12),8,10,15,17-octaene;N,N-dicyclopropyl-4-[(1,5-dimethylpyrazol-3-yl)amino]-6-ethyl-1-methylpyrrolo[3,2-e]benzimidazole-7-carboxamide;4-[[2,6-difluoro-4-[3-(1-piperidin-4-ylpyrazol-4-yl)quinoxalin-5-yl]phenyl]methyl]morpholine;methane;(2R)-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;vanadium.

What is the SMILES notation for carbanide;1-cyclopentyl-2-[4-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]ethanone;4-(2,6-dichlorophenyl)-3,5,11,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),3,7(12),8,10,15,17-octaene;N,N-dicyclopropyl-4-[(1,5-dimethylpyrazol-3-yl)amino]-6-ethyl-1-methylpyrrolo[3,2-e]benzimidazole-7-carboxamide;4-[[2,6-difluoro-4-[3-(1-piperidin-4-ylpyrazol-4-yl)quinoxalin-5-yl]phenyl]methyl]morpholine;methane;(2R)-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;vanadium?

The canonical SMILES for carbanide;1-cyclopentyl-2-[4-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]ethanone;4-(2,6-dichlorophenyl)-3,5,11,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),3,7(12),8,10,15,17-octaene;N,N-dicyclopropyl-4-[(1,5-dimethylpyrazol-3-yl)amino]-6-ethyl-1-methylpyrrolo[3,2-e]benzimidazole-7-carboxamide;4-[[2,6-difluoro-4-[3-(1-piperidin-4-ylpyrazol-4-yl)quinoxalin-5-yl]phenyl]methyl]morpholine;methane;(2R)-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;vanadium is C.CC[C@@](C)(Nc1ccnc(-c2c[nH]c3ncccc23)n1)C(=O)NCC(F)(F)F.CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(Nc3cc(C)n(C)n3)cc21.Clc1cccc(Cl)c1-c1nc2c([nH]1)-c1cccnc1Nc1ncccc1-2.Fc1cc(-c2cccc3ncc(-c4cnn(C5CCNCC5)c4)nc23)cc(F)c1CN1CCOCC1.O=C(Cc1ccc(-c2cncc(Nc3ccc(N4CCOCC4)cc3)n2)cc1)C1CCCC1.[CH3-].[V].

What is the InChIKey of carbanide;1-cyclopentyl-2-[4-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]ethanone;4-(2,6-dichlorophenyl)-3,5,11,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),3,7(12),8,10,15,17-octaene;N,N-dicyclopropyl-4-[(1,5-dimethylpyrazol-3-yl)amino]-6-ethyl-1-methylpyrrolo[3,2-e]benzimidazole-7-carboxamide;4-[[2,6-difluoro-4-[3-(1-piperidin-4-ylpyrazol-4-yl)quinoxalin-5-yl]phenyl]methyl]morpholine;methane;(2R)-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;vanadium?

The InChIKey is CVRSIRIMFRSAAB-QMNIZFPESA-N. The full InChI is InChI=1S/C27H28F2N6O.C27H30N4O2.C24H29N7O.C19H11Cl2N5.C18H19F3N6O.CH4.CH3.V/c28-23-12-18(13-24(29)22(23)17-34-8-10-36-11-9-34)21-2-1-3-25-27(21)33-26(15-31-25)19-14-32-35(16-19)20-4-6-30-7-5-20;32-26(22-3-1-2-4-22)17-20-5-7-21(8-6-20)25-18-28-19-27(30-25)29-23-9-11-24(12-10-23)31-13-15-33-16-14-31;1-5-30-19-12-18(26-21-10-14(2)29(4)27-21)22-23(28(3)13-25-22)17(19)11-20(30)24(32)31(15-6-7-15)16-8-9-16;20-12-6-1-7-13(21)14(12)19-24-15-10-4-2-8-22-17(10)26-18-11(16(15)25-19)5-3-9-23-18;1-3-17(2,16(28)25-10-18(19,20)21)27-13-6-8-23-15(26-13)12-9-24-14-11(12)5-4-7-22-14;;;/h1-3,12-16,20,30H,4-11,17H2;5-12,18-19,22H,1-4,13-17H2,(H,29,30);10-13,15-16H,5-9H2,1-4H3,(H,26,27);1-9H,(H,24,25)(H,22,23,26);4-9H,3,10H2,1-2H3,(H,22,24)(H,25,28)(H,23,26,27);1H4;1H3;/q;;;;;;-1;/t;;;;17-;;;/m....1.../s1.

What are the key properties of carbanide;1-cyclopentyl-2-[4-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]ethanone;4-(2,6-dichlorophenyl)-3,5,11,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),3,7(12),8,10,15,17-octaene;N,N-dicyclopropyl-4-[(1,5-dimethylpyrazol-3-yl)amino]-6-ethyl-1-methylpyrrolo[3,2-e]benzimidazole-7-carboxamide;4-[[2,6-difluoro-4-[3-(1-piperidin-4-ylpyrazol-4-yl)quinoxalin-5-yl]phenyl]methyl]morpholine;methane;(2R)-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;vanadium?

carbanide;1-cyclopentyl-2-[4-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]ethanone;4-(2,6-dichlorophenyl)-3,5,11,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),3,7(12),8,10,15,17-octaene;N,N-dicyclopropyl-4-[(1,5-dimethylpyrazol-3-yl)amino]-6-ethyl-1-methylpyrrolo[3,2-e]benzimidazole-7-carboxamide;4-[[2,6-difluoro-4-[3-(1-piperidin-4-ylpyrazol-4-yl)quinoxalin-5-yl]phenyl]methyl]morpholine;methane;(2R)-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;vanadium has a molecular weight of 2219.31 g/mol, XLogP of 23.25, 25 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;1-cyclopentyl-2-[4-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]ethanone;4-(2,6-dichlorophenyl)-3,5,11,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),3,7(12),8,10,15,17-octaene;N,N-dicyclopropyl-4-[(1,5-dimethylpyrazol-3-yl)amino]-6-ethyl-1-methylpyrrolo[3,2-e]benzimidazole-7-carboxamide;4-[[2,6-difluoro-4-[3-(1-piperidin-4-ylpyrazol-4-yl)quinoxalin-5-yl]phenyl]methyl]morpholine;methane;(2R)-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;vanadium is sourced from PubChem (CID 158042345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).