N-[4-[4-butyl-6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-5-ethenyl-1H-pyrazol-3-yl]-N',N'-dimethylethane-1,2-diamine;1-(cyclohexen-1-yl)-N-[3-(4-methylpiperazin-1-yl)-1H-indazol-5-yl]-1-(5-methyl-1H-pyrazol-4-yl)methanimine;2-[methyl-[7-(5-methyl-1H-pyrazol-4-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]amino]ethanol;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-1-amine

C84H110N26O — CID 163981419

About N-[4-[4-butyl-6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-5-ethenyl-1H-pyrazol-3-yl]-N',N'-dimethylethane-1,2-diamine;1-(cyclohexen-1-yl)-N-[3-(4-methylpiperazin-1-yl)-1H-indazol-5-yl]-1-(5-methyl-1H-pyrazol-4-yl)methanimine;2-[methyl-[7-(5-methyl-1H-pyrazol-4-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]amino]ethanol;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-1-amine

N-[4-[4-butyl-6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-5-ethenyl-1H-pyrazol-3-yl]-N',N'-dimethylethane-1,2-diamine;1-(cyclohexen-1-yl)-N-[3-(4-methylpiperazin-1-yl)-1H-indazol-5-yl]-1-(5-methyl-1H-pyrazol-4-yl)methanimine;2-[methyl-[7-(5-methyl-1H-pyrazol-4-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]amino]ethanol;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-1-amine (PubChem CID 163981419) has the molecular formula C84H110N26O and a molecular weight of 1499.98 g/mol. Its IUPAC name is N-[4-[4-butyl-6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-5-ethenyl-1H-pyrazol-3-yl]-N',N'-dimethylethane-1,2-diamine;1-(cyclohexen-1-yl)-N-[3-(4-methylpiperazin-1-yl)-1H-indazol-5-yl]-1-(5-methyl-1H-pyrazol-4-yl)methanimine;2-[methyl-[7-(5-methyl-1H-pyrazol-4-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]amino]ethanol;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-1-amine.

Molecular Properties

• Compound Name: N-[4-[4-butyl-6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-5-ethenyl-1H-pyrazol-3-yl]-N',N'-dimethylethane-1,2-diamine;1-(cyclohexen-1-yl)-N-[3-(4-methylpiperazin-1-yl)-1H-indazol-5-yl]-1-(5-methyl-1H-pyrazol-4-yl)methanimine;2-[methyl-[7-(5-methyl-1H-pyrazol-4-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]amino]ethanol;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-1-amine
• PubChem CID: 163981419
• Molecular Formula: C84H110N26O
• Molecular Weight: 1499.98 g/mol
• Exact Mass: 1498.94
• IUPAC Name: N-[4-[4-butyl-6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-5-ethenyl-1H-pyrazol-3-yl]-N',N'-dimethylethane-1,2-diamine;1-(cyclohexen-1-yl)-N-[3-(4-methylpiperazin-1-yl)-1H-indazol-5-yl]-1-(5-methyl-1H-pyrazol-4-yl)methanimine;2-[methyl-[7-(5-methyl-1H-pyrazol-4-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]amino]ethanol;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-1-amine
• SMILES: C=Cc1[nH]nc(NCCN(C)C)c1-c1cnc(-c2cn[nH]c2C)cc1CCCC.CCCC1=C(C)C2=C(C=CC3NN=C(N)C23)NC1c1cn[nH]c1C.Cc1[nH]ncc1-c1nc2c(c3c1CCCC3)C1C(N(C)CCO)=NNC1C=C2.Cc1[nH]ncc1/C(=N/c1ccc2[nH]nc(N3CCN(C)CC3)c2c1)C1=CCCCC1
• InChI: InChI=1S/C23H29N7.C22H31N7.C21H26N6O.C18H24N6/c1-16-20(15-24-26-16)22(17-6-4-3-5-7-17)25-18-8-9-21-19(14-18)23(28-27-21)30-12-10-29(2)11-13-30;1-6-8-9-16-12-20(17-14-25-26-15(17)3)24-13-18(16)21-19(7-2)27-28-22(21)23-10-11-29(4)5;1-12-15(11-22-24-12)20-14-6-4-3-5-13(14)18-16(23-20)7-8-17-19(18)21(26-25-17)27(2)9-10-28;1-4-5-11-9(2)15-13(6-7-14-16(15)18(19)24-23-14)21-17(11)12-8-20-22-10(12)3/h6,8-9,14-15H,3-5,7,10-13H2,1-2H3,(H,24,26)(H,27,28);7,12-14H,2,6,8-11H2,1,3-5H3,(H,25,26)(H2,23,27,28);7-8,11,17,19,25,28H,3-6,9-10H2,1-2H3,(H,22,24);6-8,14,16-17,21,23H,4-5H2,1-3H3,(H2,19,24)(H,20,22)/b25-22+
• InChIKey: SYSKMXXKQFEWMO-ICVVXADVSA-N
• XLogP: 12.24
• TPSA: 342.27 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 21
• Rotatable Bonds: 20
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1499.98
LogP ≤ 5	12.24
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-butyl-6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-5-ethenyl-1H-pyrazol-3-yl]-N',N'-dimethylethane-1,2-diamine;1-(cyclohexen-1-yl)-N-[3-(4-methylpiperazin-1-yl)-1H-indazol-5-yl]-1-(5-methyl-1H-pyrazol-4-yl)methanimine;2-[methyl-[7-(5-methyl-1H-pyrazol-4-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]amino]ethanol;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-1-amine?

The IUPAC name of N-[4-[4-butyl-6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-5-ethenyl-1H-pyrazol-3-yl]-N',N'-dimethylethane-1,2-diamine;1-(cyclohexen-1-yl)-N-[3-(4-methylpiperazin-1-yl)-1H-indazol-5-yl]-1-(5-methyl-1H-pyrazol-4-yl)methanimine;2-[methyl-[7-(5-methyl-1H-pyrazol-4-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]amino]ethanol;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-1-amine (CID 163981419) is N-[4-[4-butyl-6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-5-ethenyl-1H-pyrazol-3-yl]-N',N'-dimethylethane-1,2-diamine;1-(cyclohexen-1-yl)-N-[3-(4-methylpiperazin-1-yl)-1H-indazol-5-yl]-1-(5-methyl-1H-pyrazol-4-yl)methanimine;2-[methyl-[7-(5-methyl-1H-pyrazol-4-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]amino]ethanol;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-1-amine.

What is the SMILES notation for N-[4-[4-butyl-6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-5-ethenyl-1H-pyrazol-3-yl]-N',N'-dimethylethane-1,2-diamine;1-(cyclohexen-1-yl)-N-[3-(4-methylpiperazin-1-yl)-1H-indazol-5-yl]-1-(5-methyl-1H-pyrazol-4-yl)methanimine;2-[methyl-[7-(5-methyl-1H-pyrazol-4-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]amino]ethanol;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-1-amine?

The canonical SMILES for N-[4-[4-butyl-6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-5-ethenyl-1H-pyrazol-3-yl]-N',N'-dimethylethane-1,2-diamine;1-(cyclohexen-1-yl)-N-[3-(4-methylpiperazin-1-yl)-1H-indazol-5-yl]-1-(5-methyl-1H-pyrazol-4-yl)methanimine;2-[methyl-[7-(5-methyl-1H-pyrazol-4-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]amino]ethanol;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-1-amine is C=Cc1[nH]nc(NCCN(C)C)c1-c1cnc(-c2cn[nH]c2C)cc1CCCC.CCCC1=C(C)C2=C(C=CC3NN=C(N)C23)NC1c1cn[nH]c1C.Cc1[nH]ncc1-c1nc2c(c3c1CCCC3)C1C(N(C)CCO)=NNC1C=C2.Cc1[nH]ncc1/C(=N/c1ccc2[nH]nc(N3CCN(C)CC3)c2c1)C1=CCCCC1.

What is the InChIKey of N-[4-[4-butyl-6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-5-ethenyl-1H-pyrazol-3-yl]-N',N'-dimethylethane-1,2-diamine;1-(cyclohexen-1-yl)-N-[3-(4-methylpiperazin-1-yl)-1H-indazol-5-yl]-1-(5-methyl-1H-pyrazol-4-yl)methanimine;2-[methyl-[7-(5-methyl-1H-pyrazol-4-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]amino]ethanol;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-1-amine?

The InChIKey is SYSKMXXKQFEWMO-ICVVXADVSA-N. The full InChI is InChI=1S/C23H29N7.C22H31N7.C21H26N6O.C18H24N6/c1-16-20(15-24-26-16)22(17-6-4-3-5-7-17)25-18-8-9-21-19(14-18)23(28-27-21)30-12-10-29(2)11-13-30;1-6-8-9-16-12-20(17-14-25-26-15(17)3)24-13-18(16)21-19(7-2)27-28-22(21)23-10-11-29(4)5;1-12-15(11-22-24-12)20-14-6-4-3-5-13(14)18-16(23-20)7-8-17-19(18)21(26-25-17)27(2)9-10-28;1-4-5-11-9(2)15-13(6-7-14-16(15)18(19)24-23-14)21-17(11)12-8-20-22-10(12)3/h6,8-9,14-15H,3-5,7,10-13H2,1-2H3,(H,24,26)(H,27,28);7,12-14H,2,6,8-11H2,1,3-5H3,(H,25,26)(H2,23,27,28);7-8,11,17,19,25,28H,3-6,9-10H2,1-2H3,(H,22,24);6-8,14,16-17,21,23H,4-5H2,1-3H3,(H2,19,24)(H,20,22)/b25-22+;;;.

What are the key properties of N-[4-[4-butyl-6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-5-ethenyl-1H-pyrazol-3-yl]-N',N'-dimethylethane-1,2-diamine;1-(cyclohexen-1-yl)-N-[3-(4-methylpiperazin-1-yl)-1H-indazol-5-yl]-1-(5-methyl-1H-pyrazol-4-yl)methanimine;2-[methyl-[7-(5-methyl-1H-pyrazol-4-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]amino]ethanol;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-1-amine?

N-[4-[4-butyl-6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-5-ethenyl-1H-pyrazol-3-yl]-N',N'-dimethylethane-1,2-diamine;1-(cyclohexen-1-yl)-N-[3-(4-methylpiperazin-1-yl)-1H-indazol-5-yl]-1-(5-methyl-1H-pyrazol-4-yl)methanimine;2-[methyl-[7-(5-methyl-1H-pyrazol-4-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]amino]ethanol;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-1-amine has a molecular weight of 1499.98 g/mol, XLogP of 12.24, 20 rotatable bonds, 12 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-butyl-6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-5-ethenyl-1H-pyrazol-3-yl]-N',N'-dimethylethane-1,2-diamine;1-(cyclohexen-1-yl)-N-[3-(4-methylpiperazin-1-yl)-1H-indazol-5-yl]-1-(5-methyl-1H-pyrazol-4-yl)methanimine;2-[methyl-[7-(5-methyl-1H-pyrazol-4-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]amino]ethanol;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-1-amine is sourced from PubChem (CID 163981419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).