4-[5-(3-amino-5-ethenyl-1H-pyrazol-4-yl)-4-methyl-2-pyridinyl]cyclohexa-2,4-dien-1-ol;(3E,5E)-6-[1-[2-(dimethylamino)ethylamino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]hexa-1,3,5-trien-3-ol;4-[1-[2-hydroxyethyl(methyl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]cyclohexa-2,4-dien-1-ol;4-[1-(4-methylpiperazin-1-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;propane

C92H108N18O5 — CID 159881951

About 4-[5-(3-amino-5-ethenyl-1H-pyrazol-4-yl)-4-methyl-2-pyridinyl]cyclohexa-2,4-dien-1-ol;(3E,5E)-6-[1-[2-(dimethylamino)ethylamino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]hexa-1,3,5-trien-3-ol;4-[1-[2-hydroxyethyl(methyl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]cyclohexa-2,4-dien-1-ol;4-[1-(4-methylpiperazin-1-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;propane

4-[5-(3-amino-5-ethenyl-1H-pyrazol-4-yl)-4-methyl-2-pyridinyl]cyclohexa-2,4-dien-1-ol;(3E,5E)-6-[1-[2-(dimethylamino)ethylamino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]hexa-1,3,5-trien-3-ol;4-[1-[2-hydroxyethyl(methyl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]cyclohexa-2,4-dien-1-ol;4-[1-(4-methylpiperazin-1-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;propane (PubChem CID 159881951) has the molecular formula C92H108N18O5 and a molecular weight of 1546.00 g/mol. Its IUPAC name is 4-[5-(3-amino-5-ethenyl-1H-pyrazol-4-yl)-4-methyl-2-pyridinyl]cyclohexa-2,4-dien-1-ol;(3E,5E)-6-[1-[2-(dimethylamino)ethylamino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]hexa-1,3,5-trien-3-ol;4-[1-[2-hydroxyethyl(methyl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]cyclohexa-2,4-dien-1-ol;4-[1-(4-methylpiperazin-1-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;propane.

Molecular Properties

• Compound Name: 4-[5-(3-amino-5-ethenyl-1H-pyrazol-4-yl)-4-methyl-2-pyridinyl]cyclohexa-2,4-dien-1-ol;(3E,5E)-6-[1-[2-(dimethylamino)ethylamino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]hexa-1,3,5-trien-3-ol;4-[1-[2-hydroxyethyl(methyl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]cyclohexa-2,4-dien-1-ol;4-[1-(4-methylpiperazin-1-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;propane
• PubChem CID: 159881951
• Molecular Formula: C92H108N18O5
• Molecular Weight: 1546.00 g/mol
• Exact Mass: 1544.88
• IUPAC Name: 4-[5-(3-amino-5-ethenyl-1H-pyrazol-4-yl)-4-methyl-2-pyridinyl]cyclohexa-2,4-dien-1-ol;(3E,5E)-6-[1-[2-(dimethylamino)ethylamino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]hexa-1,3,5-trien-3-ol;4-[1-[2-hydroxyethyl(methyl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]cyclohexa-2,4-dien-1-ol;4-[1-(4-methylpiperazin-1-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;propane
• SMILES: C=C/C(O)=C\C=C\c1nc2ccc3[nH]nc(NCCN(C)C)c3c2c2c1CCCC2.C=Cc1[nH]nc(N)c1-c1cnc(C2=CCC(O)C=C2)cc1C.CCC.CN(CCO)c1n[nH]c2ccc3nc(C4=CCC(O)C=C4)c4c(c3c12)CCCC4.CN1CCN(c2n[nH]c3ccc4nc(-c5ccc(O)cc5)c5c(c4c23)CCCC5)CC1
• InChI: InChI=1S/C25H27N5O.C24H29N5O.C23H26N4O2.C17H18N4O.C3H8/c1-29-12-14-30(15-13-29)25-23-21(27-28-25)11-10-20-22(23)18-4-2-3-5-19(18)24(26-20)16-6-8-17(31)9-7-16;1-4-16(30)8-7-11-19-17-9-5-6-10-18(17)22-20(26-19)12-13-21-23(22)24(28-27-21)25-14-15-29(2)3;1-27(12-13-28)23-21-19(25-26-23)11-10-18-20(21)16-4-2-3-5-17(16)22(24-18)14-6-8-15(29)9-7-14;1-3-14-16(17(18)21-20-14)13-9-19-15(8-10(13)2)11-4-6-12(22)7-5-11;1-3-2/h6-11,31H,2-5,12-15H2,1H3,(H,27,28);4,7-8,11-13,30H,1,5-6,9-10,14-15H2,2-3H3,(H2,25,27,28);6-8,10-11,15,28-29H,2-5,9,12-13H2,1H3,(H,25,26);3-6,8-9,12,22H,1,7H2,2H3,(H3,18,20,21);3H2,1-2H3/b;11-7+,16-8+
• InChIKey: NTQCPRUCUOXSLK-IXUUEZGVSA-N
• XLogP: 15.97
• TPSA: 318.44 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1546.00
LogP ≤ 5	15.97
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-amino-5-ethenyl-1H-pyrazol-4-yl)-4-methyl-2-pyridinyl]cyclohexa-2,4-dien-1-ol;(3E,5E)-6-[1-[2-(dimethylamino)ethylamino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]hexa-1,3,5-trien-3-ol;4-[1-[2-hydroxyethyl(methyl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]cyclohexa-2,4-dien-1-ol;4-[1-(4-methylpiperazin-1-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;propane?

The IUPAC name of 4-[5-(3-amino-5-ethenyl-1H-pyrazol-4-yl)-4-methyl-2-pyridinyl]cyclohexa-2,4-dien-1-ol;(3E,5E)-6-[1-[2-(dimethylamino)ethylamino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]hexa-1,3,5-trien-3-ol;4-[1-[2-hydroxyethyl(methyl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]cyclohexa-2,4-dien-1-ol;4-[1-(4-methylpiperazin-1-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;propane (CID 159881951) is 4-[5-(3-amino-5-ethenyl-1H-pyrazol-4-yl)-4-methyl-2-pyridinyl]cyclohexa-2,4-dien-1-ol;(3E,5E)-6-[1-[2-(dimethylamino)ethylamino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]hexa-1,3,5-trien-3-ol;4-[1-[2-hydroxyethyl(methyl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]cyclohexa-2,4-dien-1-ol;4-[1-(4-methylpiperazin-1-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;propane.

What is the SMILES notation for 4-[5-(3-amino-5-ethenyl-1H-pyrazol-4-yl)-4-methyl-2-pyridinyl]cyclohexa-2,4-dien-1-ol;(3E,5E)-6-[1-[2-(dimethylamino)ethylamino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]hexa-1,3,5-trien-3-ol;4-[1-[2-hydroxyethyl(methyl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]cyclohexa-2,4-dien-1-ol;4-[1-(4-methylpiperazin-1-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;propane?

The canonical SMILES for 4-[5-(3-amino-5-ethenyl-1H-pyrazol-4-yl)-4-methyl-2-pyridinyl]cyclohexa-2,4-dien-1-ol;(3E,5E)-6-[1-[2-(dimethylamino)ethylamino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]hexa-1,3,5-trien-3-ol;4-[1-[2-hydroxyethyl(methyl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]cyclohexa-2,4-dien-1-ol;4-[1-(4-methylpiperazin-1-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;propane is C=C/C(O)=C\C=C\c1nc2ccc3[nH]nc(NCCN(C)C)c3c2c2c1CCCC2.C=Cc1[nH]nc(N)c1-c1cnc(C2=CCC(O)C=C2)cc1C.CCC.CN(CCO)c1n[nH]c2ccc3nc(C4=CCC(O)C=C4)c4c(c3c12)CCCC4.CN1CCN(c2n[nH]c3ccc4nc(-c5ccc(O)cc5)c5c(c4c23)CCCC5)CC1.

What is the InChIKey of 4-[5-(3-amino-5-ethenyl-1H-pyrazol-4-yl)-4-methyl-2-pyridinyl]cyclohexa-2,4-dien-1-ol;(3E,5E)-6-[1-[2-(dimethylamino)ethylamino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]hexa-1,3,5-trien-3-ol;4-[1-[2-hydroxyethyl(methyl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]cyclohexa-2,4-dien-1-ol;4-[1-(4-methylpiperazin-1-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;propane?

The InChIKey is NTQCPRUCUOXSLK-IXUUEZGVSA-N. The full InChI is InChI=1S/C25H27N5O.C24H29N5O.C23H26N4O2.C17H18N4O.C3H8/c1-29-12-14-30(15-13-29)25-23-21(27-28-25)11-10-20-22(23)18-4-2-3-5-19(18)24(26-20)16-6-8-17(31)9-7-16;1-4-16(30)8-7-11-19-17-9-5-6-10-18(17)22-20(26-19)12-13-21-23(22)24(28-27-21)25-14-15-29(2)3;1-27(12-13-28)23-21-19(25-26-23)11-10-18-20(21)16-4-2-3-5-17(16)22(24-18)14-6-8-15(29)9-7-14;1-3-14-16(17(18)21-20-14)13-9-19-15(8-10(13)2)11-4-6-12(22)7-5-11;1-3-2/h6-11,31H,2-5,12-15H2,1H3,(H,27,28);4,7-8,11-13,30H,1,5-6,9-10,14-15H2,2-3H3,(H2,25,27,28);6-8,10-11,15,28-29H,2-5,9,12-13H2,1H3,(H,25,26);3-6,8-9,12,22H,1,7H2,2H3,(H3,18,20,21);3H2,1-2H3/b;11-7+,16-8+;;;.

What are the key properties of 4-[5-(3-amino-5-ethenyl-1H-pyrazol-4-yl)-4-methyl-2-pyridinyl]cyclohexa-2,4-dien-1-ol;(3E,5E)-6-[1-[2-(dimethylamino)ethylamino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]hexa-1,3,5-trien-3-ol;4-[1-[2-hydroxyethyl(methyl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]cyclohexa-2,4-dien-1-ol;4-[1-(4-methylpiperazin-1-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;propane?

4-[5-(3-amino-5-ethenyl-1H-pyrazol-4-yl)-4-methyl-2-pyridinyl]cyclohexa-2,4-dien-1-ol;(3E,5E)-6-[1-[2-(dimethylamino)ethylamino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]hexa-1,3,5-trien-3-ol;4-[1-[2-hydroxyethyl(methyl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]cyclohexa-2,4-dien-1-ol;4-[1-(4-methylpiperazin-1-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;propane has a molecular weight of 1546.00 g/mol, XLogP of 15.97, 16 rotatable bonds, 11 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(3-amino-5-ethenyl-1H-pyrazol-4-yl)-4-methyl-2-pyridinyl]cyclohexa-2,4-dien-1-ol;(3E,5E)-6-[1-[2-(dimethylamino)ethylamino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]hexa-1,3,5-trien-3-ol;4-[1-[2-hydroxyethyl(methyl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]cyclohexa-2,4-dien-1-ol;4-[1-(4-methylpiperazin-1-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;propane is sourced from PubChem (CID 159881951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).