2,5-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;bis(7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine);4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol

C97H84F5N19O2 — CID 159476400

About 2,5-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;bis(7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine);4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol

2,5-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;bis(7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine);4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol (PubChem CID 159476400) has the molecular formula C97H84F5N19O2 and a molecular weight of 1642.86 g/mol. Its IUPAC name is 2,5-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;bis(7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine);4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol.

Molecular Properties

• Compound Name: 2,5-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;bis(7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine);4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol
• PubChem CID: 159476400
• Molecular Formula: C97H84F5N19O2
• Molecular Weight: 1642.86 g/mol
• Exact Mass: 1641.70
• IUPAC Name: 2,5-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;bis(7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine);4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol
• SMILES: Cc1[nH]ncc1-c1[nH]c2ccc3nccc3c2c2c1CCCC2.Cc1[nH]ncc1-c1[nH]c2ccc3nccc3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2.Oc1cc(F)c(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1F.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1C(F)(F)F
• InChI: InChI=1S/C21H16F3N3O.C20H15F2N3O.2C19H18N4.C18H17N5/c22-21(23,24)15-9-11(5-8-18(15)28)20-13-4-2-1-3-12(13)19-14-10-25-27-16(14)6-7-17(19)26-20;21-14-8-18(26)15(22)7-12(14)20-11-4-2-1-3-10(11)19-13-9-23-25-16(13)5-6-17(19)24-20;2*1-11-15(10-21-23-11)19-13-5-3-2-4-12(13)18-14-8-9-20-16(14)6-7-17(18)22-19;1-10-13(8-19-22-10)18-12-5-3-2-4-11(12)17-14-9-20-23-15(14)6-7-16(17)21-18/h5-10,28H,1-4H2,(H,25,27);5-9,26H,1-4H2,(H,23,25);2*6-10,22H,2-5H2,1H3,(H,21,23);6-9H,2-5H2,1H3,(H,19,22)(H,20,23)
• InChIKey: GMFPHTVZSISVBP-UHFFFAOYSA-N
• XLogP: 22.30
• TPSA: 308.57 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 13
• Rotatable Bonds: 5
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1642.86
LogP ≤ 5	22.30
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;bis(7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine);4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol?

The IUPAC name of 2,5-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;bis(7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine);4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol (CID 159476400) is 2,5-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;bis(7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine);4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol.

What is the SMILES notation for 2,5-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;bis(7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine);4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol?

The canonical SMILES for 2,5-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;bis(7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine);4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol is Cc1[nH]ncc1-c1[nH]c2ccc3nccc3c2c2c1CCCC2.Cc1[nH]ncc1-c1[nH]c2ccc3nccc3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2.Oc1cc(F)c(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1F.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1C(F)(F)F.

What is the InChIKey of 2,5-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;bis(7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine);4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol?

The InChIKey is GMFPHTVZSISVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O.C20H15F2N3O.2C19H18N4.C18H17N5/c22-21(23,24)15-9-11(5-8-18(15)28)20-13-4-2-1-3-12(13)19-14-10-25-27-16(14)6-7-17(19)26-20;21-14-8-18(26)15(22)7-12(14)20-11-4-2-1-3-10(11)19-13-9-23-25-16(13)5-6-17(19)24-20;2*1-11-15(10-21-23-11)19-13-5-3-2-4-12(13)18-14-8-9-20-16(14)6-7-17(18)22-19;1-10-13(8-19-22-10)18-12-5-3-2-4-11(12)17-14-9-20-23-15(14)6-7-16(17)21-18/h5-10,28H,1-4H2,(H,25,27);5-9,26H,1-4H2,(H,23,25);2*6-10,22H,2-5H2,1H3,(H,21,23);6-9H,2-5H2,1H3,(H,19,22)(H,20,23).

What are the key properties of 2,5-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;bis(7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine);4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol?

2,5-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;bis(7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine);4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol has a molecular weight of 1642.86 g/mol, XLogP of 22.30, 5 rotatable bonds, 10 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;bis(7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine);4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol is sourced from PubChem (CID 159476400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).