N-(4-acetamidobutyl)-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;4-(3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)-N-cyclopropyl-1H-pyrazole-5-carboxamide;2-amino-4-(cyclohexen-1-yl)-4-(1H-indazol-5-ylimino)-3-methanimidoyl-N,N-dimethylbut-2-enamide;4-[C-(cyclohexen-1-yl)-N-(1H-indazol-5-yl)carbonimidoyl]-1H-pyrazole-5-carboxamide;N,N-dimethyl-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazole-5-carboxamide;2-(2,4-dioxocyclohexyl)-4-methylisoindole-1,3-dione

C119H126N32O10 — CID 160944309

About N-(4-acetamidobutyl)-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;4-(3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)-N-cyclopropyl-1H-pyrazole-5-carboxamide;2-amino-4-(cyclohexen-1-yl)-4-(1H-indazol-5-ylimino)-3-methanimidoyl-N,N-dimethylbut-2-enamide;4-[C-(cyclohexen-1-yl)-N-(1H-indazol-5-yl)carbonimidoyl]-1H-pyrazole-5-carboxamide;N,N-dimethyl-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazole-5-carboxamide;2-(2,4-dioxocyclohexyl)-4-methylisoindole-1,3-dione

N-(4-acetamidobutyl)-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;4-(3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)-N-cyclopropyl-1H-pyrazole-5-carboxamide;2-amino-4-(cyclohexen-1-yl)-4-(1H-indazol-5-ylimino)-3-methanimidoyl-N,N-dimethylbut-2-enamide;4-[C-(cyclohexen-1-yl)-N-(1H-indazol-5-yl)carbonimidoyl]-1H-pyrazole-5-carboxamide;N,N-dimethyl-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazole-5-carboxamide;2-(2,4-dioxocyclohexyl)-4-methylisoindole-1,3-dione (PubChem CID 160944309) has the molecular formula C119H126N32O10 and a molecular weight of 2164.53 g/mol. Its IUPAC name is N-(4-acetamidobutyl)-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;4-(3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)-N-cyclopropyl-1H-pyrazole-5-carboxamide;2-amino-4-(cyclohexen-1-yl)-4-(1H-indazol-5-ylimino)-3-methanimidoyl-N,N-dimethylbut-2-enamide;4-[C-(cyclohexen-1-yl)-N-(1H-indazol-5-yl)carbonimidoyl]-1H-pyrazole-5-carboxamide;N,N-dimethyl-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazole-5-carboxamide;2-(2,4-dioxocyclohexyl)-4-methylisoindole-1,3-dione.

Molecular Properties

• Compound Name: N-(4-acetamidobutyl)-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;4-(3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)-N-cyclopropyl-1H-pyrazole-5-carboxamide;2-amino-4-(cyclohexen-1-yl)-4-(1H-indazol-5-ylimino)-3-methanimidoyl-N,N-dimethylbut-2-enamide;4-[C-(cyclohexen-1-yl)-N-(1H-indazol-5-yl)carbonimidoyl]-1H-pyrazole-5-carboxamide;N,N-dimethyl-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazole-5-carboxamide;2-(2,4-dioxocyclohexyl)-4-methylisoindole-1,3-dione
• PubChem CID: 160944309
• Molecular Formula: C119H126N32O10
• Molecular Weight: 2164.53 g/mol
• Exact Mass: 2163.03
• IUPAC Name: N-(4-acetamidobutyl)-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;4-(3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)-N-cyclopropyl-1H-pyrazole-5-carboxamide;2-amino-4-(cyclohexen-1-yl)-4-(1H-indazol-5-ylimino)-3-methanimidoyl-N,N-dimethylbut-2-enamide;4-[C-(cyclohexen-1-yl)-N-(1H-indazol-5-yl)carbonimidoyl]-1H-pyrazole-5-carboxamide;N,N-dimethyl-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazole-5-carboxamide;2-(2,4-dioxocyclohexyl)-4-methylisoindole-1,3-dione
• SMILES: CC(=O)NCCCCNC(=O)c1n[nH]c2ccc3nc(-c4cn[nH]c4C)c4c(c3c12)CCCC4.CN(C)C(=O)c1[nH]ncc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2.Cc1cccc2c1C(=O)N(C1CCC(=O)CC1=O)C2=O.NC(=O)c1[nH]ncc1/C(=N/c1ccc2[nH]ncc2c1)C1=CCCCC1.O=C(NC1CC1)c1[nH]ncc1-c1nc2c(c3c1CCCC3)C1C=NNC1C=C2.[H]/N=C/C(=C(N)C(=O)N(C)C)/C(=N/c1ccc2[nH]ncc2c1)C1=CCCCC1
• InChI: InChI=1S/C25H29N7O2.C21H22N6O.C20H20N6O.C20H24N6O.C18H18N6O.C15H13NO4/c1-14-18(13-28-30-14)23-17-8-4-3-7-16(17)21-19(29-23)9-10-20-22(21)24(32-31-20)25(34)27-12-6-5-11-26-15(2)33;28-21(24-11-5-6-11)20-15(10-23-27-20)19-13-4-2-1-3-12(13)18-14-9-22-26-16(14)7-8-17(18)25-19;1-26(2)20(27)19-14(10-22-25-19)18-12-6-4-3-5-11(12)17-13-9-21-24-15(13)7-8-16(17)23-18;1-26(2)20(27)18(22)16(11-21)19(13-6-4-3-5-7-13)24-15-8-9-17-14(10-15)12-23-25-17;19-18(25)17-14(10-21-24-17)16(11-4-2-1-3-5-11)22-13-6-7-15-12(8-13)9-20-23-15;1-8-3-2-4-10-13(8)15(20)16(14(10)19)11-6-5-9(17)7-12(11)18/h9-10,13H,3-8,11-12H2,1-2H3,(H,26,33)(H,27,34)(H,28,30)(H,31,32);7-11,14,16,26H,1-6H2,(H,23,27)(H,24,28);7-10H,3-6H2,1-2H3,(H,21,24)(H,22,25);6,8-12,21H,3-5,7,22H2,1-2H3,(H,23,25);4,6-10H,1-3,5H2,(H2,19,25)(H,20,23)(H,21,24);2-4,11H,5-7H2,1H3/b;;;18-16?,21-11+,24-19+;22-16+
• InChIKey: VOXOJEBYKCBGHX-FEVMBOJASA-N
• XLogP: 16.10
• TPSA: 609.62 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 27
• Rotatable Bonds: 22
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2164.53
LogP ≤ 5	16.10
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidobutyl)-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;4-(3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)-N-cyclopropyl-1H-pyrazole-5-carboxamide;2-amino-4-(cyclohexen-1-yl)-4-(1H-indazol-5-ylimino)-3-methanimidoyl-N,N-dimethylbut-2-enamide;4-[C-(cyclohexen-1-yl)-N-(1H-indazol-5-yl)carbonimidoyl]-1H-pyrazole-5-carboxamide;N,N-dimethyl-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazole-5-carboxamide;2-(2,4-dioxocyclohexyl)-4-methylisoindole-1,3-dione?

The IUPAC name of N-(4-acetamidobutyl)-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;4-(3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)-N-cyclopropyl-1H-pyrazole-5-carboxamide;2-amino-4-(cyclohexen-1-yl)-4-(1H-indazol-5-ylimino)-3-methanimidoyl-N,N-dimethylbut-2-enamide;4-[C-(cyclohexen-1-yl)-N-(1H-indazol-5-yl)carbonimidoyl]-1H-pyrazole-5-carboxamide;N,N-dimethyl-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazole-5-carboxamide;2-(2,4-dioxocyclohexyl)-4-methylisoindole-1,3-dione (CID 160944309) is N-(4-acetamidobutyl)-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;4-(3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)-N-cyclopropyl-1H-pyrazole-5-carboxamide;2-amino-4-(cyclohexen-1-yl)-4-(1H-indazol-5-ylimino)-3-methanimidoyl-N,N-dimethylbut-2-enamide;4-[C-(cyclohexen-1-yl)-N-(1H-indazol-5-yl)carbonimidoyl]-1H-pyrazole-5-carboxamide;N,N-dimethyl-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazole-5-carboxamide;2-(2,4-dioxocyclohexyl)-4-methylisoindole-1,3-dione.

What is the SMILES notation for N-(4-acetamidobutyl)-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;4-(3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)-N-cyclopropyl-1H-pyrazole-5-carboxamide;2-amino-4-(cyclohexen-1-yl)-4-(1H-indazol-5-ylimino)-3-methanimidoyl-N,N-dimethylbut-2-enamide;4-[C-(cyclohexen-1-yl)-N-(1H-indazol-5-yl)carbonimidoyl]-1H-pyrazole-5-carboxamide;N,N-dimethyl-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazole-5-carboxamide;2-(2,4-dioxocyclohexyl)-4-methylisoindole-1,3-dione?

The canonical SMILES for N-(4-acetamidobutyl)-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;4-(3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)-N-cyclopropyl-1H-pyrazole-5-carboxamide;2-amino-4-(cyclohexen-1-yl)-4-(1H-indazol-5-ylimino)-3-methanimidoyl-N,N-dimethylbut-2-enamide;4-[C-(cyclohexen-1-yl)-N-(1H-indazol-5-yl)carbonimidoyl]-1H-pyrazole-5-carboxamide;N,N-dimethyl-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazole-5-carboxamide;2-(2,4-dioxocyclohexyl)-4-methylisoindole-1,3-dione is CC(=O)NCCCCNC(=O)c1n[nH]c2ccc3nc(-c4cn[nH]c4C)c4c(c3c12)CCCC4.CN(C)C(=O)c1[nH]ncc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2.Cc1cccc2c1C(=O)N(C1CCC(=O)CC1=O)C2=O.NC(=O)c1[nH]ncc1/C(=N/c1ccc2[nH]ncc2c1)C1=CCCCC1.O=C(NC1CC1)c1[nH]ncc1-c1nc2c(c3c1CCCC3)C1C=NNC1C=C2.[H]/N=C/C(=C(N)C(=O)N(C)C)/C(=N/c1ccc2[nH]ncc2c1)C1=CCCCC1.

What is the InChIKey of N-(4-acetamidobutyl)-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;4-(3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)-N-cyclopropyl-1H-pyrazole-5-carboxamide;2-amino-4-(cyclohexen-1-yl)-4-(1H-indazol-5-ylimino)-3-methanimidoyl-N,N-dimethylbut-2-enamide;4-[C-(cyclohexen-1-yl)-N-(1H-indazol-5-yl)carbonimidoyl]-1H-pyrazole-5-carboxamide;N,N-dimethyl-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazole-5-carboxamide;2-(2,4-dioxocyclohexyl)-4-methylisoindole-1,3-dione?

The InChIKey is VOXOJEBYKCBGHX-FEVMBOJASA-N. The full InChI is InChI=1S/C25H29N7O2.C21H22N6O.C20H20N6O.C20H24N6O.C18H18N6O.C15H13NO4/c1-14-18(13-28-30-14)23-17-8-4-3-7-16(17)21-19(29-23)9-10-20-22(21)24(32-31-20)25(34)27-12-6-5-11-26-15(2)33;28-21(24-11-5-6-11)20-15(10-23-27-20)19-13-4-2-1-3-12(13)18-14-9-22-26-16(14)7-8-17(18)25-19;1-26(2)20(27)19-14(10-22-25-19)18-12-6-4-3-5-11(12)17-13-9-21-24-15(13)7-8-16(17)23-18;1-26(2)20(27)18(22)16(11-21)19(13-6-4-3-5-7-13)24-15-8-9-17-14(10-15)12-23-25-17;19-18(25)17-14(10-21-24-17)16(11-4-2-1-3-5-11)22-13-6-7-15-12(8-13)9-20-23-15;1-8-3-2-4-10-13(8)15(20)16(14(10)19)11-6-5-9(17)7-12(11)18/h9-10,13H,3-8,11-12H2,1-2H3,(H,26,33)(H,27,34)(H,28,30)(H,31,32);7-11,14,16,26H,1-6H2,(H,23,27)(H,24,28);7-10H,3-6H2,1-2H3,(H,21,24)(H,22,25);6,8-12,21H,3-5,7,22H2,1-2H3,(H,23,25);4,6-10H,1-3,5H2,(H2,19,25)(H,20,23)(H,21,24);2-4,11H,5-7H2,1H3/b;;;18-16?,21-11+,24-19+;22-16+;.

What are the key properties of N-(4-acetamidobutyl)-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;4-(3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)-N-cyclopropyl-1H-pyrazole-5-carboxamide;2-amino-4-(cyclohexen-1-yl)-4-(1H-indazol-5-ylimino)-3-methanimidoyl-N,N-dimethylbut-2-enamide;4-[C-(cyclohexen-1-yl)-N-(1H-indazol-5-yl)carbonimidoyl]-1H-pyrazole-5-carboxamide;N,N-dimethyl-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazole-5-carboxamide;2-(2,4-dioxocyclohexyl)-4-methylisoindole-1,3-dione?

N-(4-acetamidobutyl)-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;4-(3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)-N-cyclopropyl-1H-pyrazole-5-carboxamide;2-amino-4-(cyclohexen-1-yl)-4-(1H-indazol-5-ylimino)-3-methanimidoyl-N,N-dimethylbut-2-enamide;4-[C-(cyclohexen-1-yl)-N-(1H-indazol-5-yl)carbonimidoyl]-1H-pyrazole-5-carboxamide;N,N-dimethyl-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazole-5-carboxamide;2-(2,4-dioxocyclohexyl)-4-methylisoindole-1,3-dione has a molecular weight of 2164.53 g/mol, XLogP of 16.10, 22 rotatable bonds, 15 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-acetamidobutyl)-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;4-(3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)-N-cyclopropyl-1H-pyrazole-5-carboxamide;2-amino-4-(cyclohexen-1-yl)-4-(1H-indazol-5-ylimino)-3-methanimidoyl-N,N-dimethylbut-2-enamide;4-[C-(cyclohexen-1-yl)-N-(1H-indazol-5-yl)carbonimidoyl]-1H-pyrazole-5-carboxamide;N,N-dimethyl-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazole-5-carboxamide;2-(2,4-dioxocyclohexyl)-4-methylisoindole-1,3-dione is sourced from PubChem (CID 160944309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).