1-[5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]-4-methylpentan-1-one;[3-(dimethylamino)pyrrolidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[(3S)-3-methylpiperidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone

C74H88N18O3 — CID 163865710

About 1-[5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]-4-methylpentan-1-one;[3-(dimethylamino)pyrrolidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[(3S)-3-methylpiperidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone

1-[5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]-4-methylpentan-1-one;[3-(dimethylamino)pyrrolidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[(3S)-3-methylpiperidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone (PubChem CID 163865710) has the molecular formula C74H88N18O3 and a molecular weight of 1277.64 g/mol. Its IUPAC name is 1-[5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]-4-methylpentan-1-one;[3-(dimethylamino)pyrrolidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[(3S)-3-methylpiperidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone.

Molecular Properties

• Compound Name: 1-[5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]-4-methylpentan-1-one;[3-(dimethylamino)pyrrolidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[(3S)-3-methylpiperidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone
• PubChem CID: 163865710
• Molecular Formula: C74H88N18O3
• Molecular Weight: 1277.64 g/mol
• Exact Mass: 1276.73
• IUPAC Name: 1-[5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]-4-methylpentan-1-one;[3-(dimethylamino)pyrrolidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[(3S)-3-methylpiperidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone
• SMILES: Cc1[nH]ncc1-c1nc2c(c3c1CCCC3)C1C(C(=O)N3CCC(N(C)C)C3)=NNC1C=C2.Cc1[nH]ncc1-c1nc2ccc3[nH]nc(C(=O)N4CCC[C@H](C)C4)c3c2c2c1CCCC2.Cc1[nH]ncc1/C(=N/c1ccc2[nH]nc(C(=O)CCC(C)C)c2c1)C1=CCCCC1
• InChI: InChI=1S/C25H31N7O.C25H28N6O.C24H29N5O/c1-14-18(12-26-28-14)23-17-7-5-4-6-16(17)21-19(27-23)8-9-20-22(21)24(30-29-20)25(33)32-11-10-15(13-32)31(2)3;1-14-6-5-11-31(13-14)25(32)24-22-20(29-30-24)10-9-19-21(22)16-7-3-4-8-17(16)23(27-19)18-12-26-28-15(18)2;1-15(2)9-12-22(30)24-19-13-18(10-11-21(19)28-29-24)26-23(17-7-5-4-6-8-17)20-14-25-27-16(20)3/h8-9,12,15,20,22,29H,4-7,10-11,13H2,1-3H3,(H,26,28);9-10,12,14H,3-8,11,13H2,1-2H3,(H,26,28)(H,29,30);7,10-11,13-15H,4-6,8-9,12H2,1-3H3,(H,25,27)(H,28,29)/b;;26-23+/t;14-;/m.0./s1
• InChIKey: PGKMYXHYUBQOQF-GMANHEONSA-N
• XLogP: 12.65
• TPSA: 266.86 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1277.64
LogP ≤ 5	12.65
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]-4-methylpentan-1-one;[3-(dimethylamino)pyrrolidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[(3S)-3-methylpiperidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone?

The IUPAC name of 1-[5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]-4-methylpentan-1-one;[3-(dimethylamino)pyrrolidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[(3S)-3-methylpiperidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone (CID 163865710) is 1-[5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]-4-methylpentan-1-one;[3-(dimethylamino)pyrrolidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[(3S)-3-methylpiperidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone.

What is the SMILES notation for 1-[5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]-4-methylpentan-1-one;[3-(dimethylamino)pyrrolidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[(3S)-3-methylpiperidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone?

The canonical SMILES for 1-[5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]-4-methylpentan-1-one;[3-(dimethylamino)pyrrolidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[(3S)-3-methylpiperidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone is Cc1[nH]ncc1-c1nc2c(c3c1CCCC3)C1C(C(=O)N3CCC(N(C)C)C3)=NNC1C=C2.Cc1[nH]ncc1-c1nc2ccc3[nH]nc(C(=O)N4CCC[C@H](C)C4)c3c2c2c1CCCC2.Cc1[nH]ncc1/C(=N/c1ccc2[nH]nc(C(=O)CCC(C)C)c2c1)C1=CCCCC1.

What is the InChIKey of 1-[5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]-4-methylpentan-1-one;[3-(dimethylamino)pyrrolidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[(3S)-3-methylpiperidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone?

The InChIKey is PGKMYXHYUBQOQF-GMANHEONSA-N. The full InChI is InChI=1S/C25H31N7O.C25H28N6O.C24H29N5O/c1-14-18(12-26-28-14)23-17-7-5-4-6-16(17)21-19(27-23)8-9-20-22(21)24(30-29-20)25(33)32-11-10-15(13-32)31(2)3;1-14-6-5-11-31(13-14)25(32)24-22-20(29-30-24)10-9-19-21(22)16-7-3-4-8-17(16)23(27-19)18-12-26-28-15(18)2;1-15(2)9-12-22(30)24-19-13-18(10-11-21(19)28-29-24)26-23(17-7-5-4-6-8-17)20-14-25-27-16(20)3/h8-9,12,15,20,22,29H,4-7,10-11,13H2,1-3H3,(H,26,28);9-10,12,14H,3-8,11,13H2,1-2H3,(H,26,28)(H,29,30);7,10-11,13-15H,4-6,8-9,12H2,1-3H3,(H,25,27)(H,28,29)/b;;26-23+/t;14-;/m.0./s1.

What are the key properties of 1-[5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]-4-methylpentan-1-one;[3-(dimethylamino)pyrrolidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[(3S)-3-methylpiperidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone?

1-[5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]-4-methylpentan-1-one;[3-(dimethylamino)pyrrolidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[(3S)-3-methylpiperidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone has a molecular weight of 1277.64 g/mol, XLogP of 12.65, 12 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]-4-methylpentan-1-one;[3-(dimethylamino)pyrrolidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[(3S)-3-methylpiperidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone is sourced from PubChem (CID 163865710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).