4-[1-(3-aminoprop-1-ynyl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;2-[4-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-1-yl]acetic acid;4-[1-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-[1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-[1-(2H-tetrazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol

C121H106F3N27O7 — CID 157464873

About 4-[1-(3-aminoprop-1-ynyl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;2-[4-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-1-yl]acetic acid;4-[1-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-[1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-[1-(2H-tetrazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol

4-[1-(3-aminoprop-1-ynyl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;2-[4-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-1-yl]acetic acid;4-[1-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-[1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-[1-(2H-tetrazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol (PubChem CID 157464873) has the molecular formula C121H106F3N27O7 and a molecular weight of 2107.35 g/mol. Its IUPAC name is 4-[1-(3-aminoprop-1-ynyl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;2-[4-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-1-yl]acetic acid;4-[1-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-[1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-[1-(2H-tetrazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol.

Molecular Properties

• Compound Name: 4-[1-(3-aminoprop-1-ynyl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;2-[4-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-1-yl]acetic acid;4-[1-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-[1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-[1-(2H-tetrazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol
• PubChem CID: 157464873
• Molecular Formula: C121H106F3N27O7
• Molecular Weight: 2107.35 g/mol
• Exact Mass: 2105.87
• IUPAC Name: 4-[1-(3-aminoprop-1-ynyl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;2-[4-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-1-yl]acetic acid;4-[1-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-[1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-[1-(2H-tetrazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol
• SMILES: CN1CCN(CC#Cc2[nH]nc3ccc4nc(-c5ccc(O)cc5)c5c(c4c23)CCCC5)CC1.Cn1nc(C(F)(F)F)cc1-c1n[nH]c2ccc3nc(-c4ccc(O)cc4)c4c(c3c12)CCCC4.NCC#Cc1[nH]nc2ccc3nc(-c4ccc(O)cc4)c4c(c3c12)CCCC4.O=C(O)Cn1cc(-c2n[nH]c3ccc4nc(-c5ccc(O)cc5)c5c(c4c23)CCCC5)nn1.Oc1ccc(-c2nc3ccc4[nH]nc(-c5nn[nH]n5)c4c3c3c2CCCC3)cc1
• InChI: InChI=1S/C28H29N5O.C25H20F3N5O.C24H20N6O3.C23H20N4O.C21H17N7O/c1-32-15-17-33(18-16-32)14-4-7-24-27-25(31-30-24)13-12-23-26(27)21-5-2-3-6-22(21)28(29-23)19-8-10-20(34)11-9-19;1-33-19(12-20(32-33)25(26,27)28)24-22-18(30-31-24)11-10-17-21(22)15-4-2-3-5-16(15)23(29-17)13-6-8-14(34)9-7-13;31-14-7-5-13(6-8-14)23-16-4-2-1-3-15(16)21-17(25-23)9-10-18-22(21)24(28-26-18)19-11-30(29-27-19)12-20(32)33;24-13-3-6-19-22-20(27-26-19)12-11-18-21(22)16-4-1-2-5-17(16)23(25-18)14-7-9-15(28)10-8-14;29-12-7-5-11(6-8-12)19-14-4-2-1-3-13(14)17-15(22-19)9-10-16-18(17)20(24-23-16)21-25-27-28-26-21/h8-13,34H,2-3,5-6,14-18H2,1H3,(H,30,31);6-12,34H,2-5H2,1H3,(H,30,31);5-11,31H,1-4,12H2,(H,26,28)(H,32,33);7-12,28H,1-2,4-5,13,24H2,(H,26,27);5-10,29H,1-4H2,(H,23,24)(H,25,26,27,28)
• InChIKey: BUIVVHMTXLNQNU-UHFFFAOYSA-N
• XLogP: 20.66
• TPSA: 481.79 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 27
• Rotatable Bonds: 11
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2107.35
LogP ≤ 5	20.66
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-aminoprop-1-ynyl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;2-[4-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-1-yl]acetic acid;4-[1-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-[1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-[1-(2H-tetrazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol?

The IUPAC name of 4-[1-(3-aminoprop-1-ynyl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;2-[4-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-1-yl]acetic acid;4-[1-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-[1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-[1-(2H-tetrazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol (CID 157464873) is 4-[1-(3-aminoprop-1-ynyl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;2-[4-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-1-yl]acetic acid;4-[1-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-[1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-[1-(2H-tetrazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol.

What is the SMILES notation for 4-[1-(3-aminoprop-1-ynyl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;2-[4-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-1-yl]acetic acid;4-[1-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-[1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-[1-(2H-tetrazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol?

The canonical SMILES for 4-[1-(3-aminoprop-1-ynyl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;2-[4-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-1-yl]acetic acid;4-[1-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-[1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-[1-(2H-tetrazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol is CN1CCN(CC#Cc2[nH]nc3ccc4nc(-c5ccc(O)cc5)c5c(c4c23)CCCC5)CC1.Cn1nc(C(F)(F)F)cc1-c1n[nH]c2ccc3nc(-c4ccc(O)cc4)c4c(c3c12)CCCC4.NCC#Cc1[nH]nc2ccc3nc(-c4ccc(O)cc4)c4c(c3c12)CCCC4.O=C(O)Cn1cc(-c2n[nH]c3ccc4nc(-c5ccc(O)cc5)c5c(c4c23)CCCC5)nn1.Oc1ccc(-c2nc3ccc4[nH]nc(-c5nn[nH]n5)c4c3c3c2CCCC3)cc1.

What is the InChIKey of 4-[1-(3-aminoprop-1-ynyl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;2-[4-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-1-yl]acetic acid;4-[1-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-[1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-[1-(2H-tetrazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol?

The InChIKey is BUIVVHMTXLNQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O.C25H20F3N5O.C24H20N6O3.C23H20N4O.C21H17N7O/c1-32-15-17-33(18-16-32)14-4-7-24-27-25(31-30-24)13-12-23-26(27)21-5-2-3-6-22(21)28(29-23)19-8-10-20(34)11-9-19;1-33-19(12-20(32-33)25(26,27)28)24-22-18(30-31-24)11-10-17-21(22)15-4-2-3-5-16(15)23(29-17)13-6-8-14(34)9-7-13;31-14-7-5-13(6-8-14)23-16-4-2-1-3-15(16)21-17(25-23)9-10-18-22(21)24(28-26-18)19-11-30(29-27-19)12-20(32)33;24-13-3-6-19-22-20(27-26-19)12-11-18-21(22)16-4-1-2-5-17(16)23(25-18)14-7-9-15(28)10-8-14;29-12-7-5-11(6-8-12)19-14-4-2-1-3-13(14)17-15(22-19)9-10-16-18(17)20(24-23-16)21-25-27-28-26-21/h8-13,34H,2-3,5-6,14-18H2,1H3,(H,30,31);6-12,34H,2-5H2,1H3,(H,30,31);5-11,31H,1-4,12H2,(H,26,28)(H,32,33);7-12,28H,1-2,4-5,13,24H2,(H,26,27);5-10,29H,1-4H2,(H,23,24)(H,25,26,27,28).

What are the key properties of 4-[1-(3-aminoprop-1-ynyl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;2-[4-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-1-yl]acetic acid;4-[1-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-[1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-[1-(2H-tetrazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol?

4-[1-(3-aminoprop-1-ynyl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;2-[4-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-1-yl]acetic acid;4-[1-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-[1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-[1-(2H-tetrazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol has a molecular weight of 2107.35 g/mol, XLogP of 20.66, 11 rotatable bonds, 13 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(3-aminoprop-1-ynyl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;2-[4-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-1-yl]acetic acid;4-[1-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-[1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-[1-(2H-tetrazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol is sourced from PubChem (CID 157464873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).