7-(4-hydroxyphenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxamide

C34H33F3N6O2 — CID 142445491

IUPAC7-(4-hydroxyphenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxamide
SMILESCN1CCN(Cc2ccc(NC(=O)C3CCc4c(c(-c5ccc(O)cc5)nc5ccc6[nH]ncc6c45)C3)cc2C(F)(F)F)CC1
InChIInChI=1S/C34H33F3N6O2/c1-42-12-14-43(15-13-42)19-22-2-6-23(17-28(22)34(35,36)37)39-33(45)21-5-9-25-26(16-21)32(20-3-7-24(44)8-4-20)40-30-11-10-29-27(31(25)30)18-38-41-29/h2-4,6-8,10-11,17-18,21,44H,5,9,12-16,19H2,1H3,(H,38,41)(H,39,45)
InChIKeyABEBSXVMGOYFOP-UHFFFAOYSA-N
MW614.67 g/mol
LogP5.99
Rot. Bonds5

About 7-(4-hydroxyphenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxamide

7-(4-hydroxyphenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxamide (PubChem CID 142445491) has the molecular formula C34H33F3N6O2 and a molecular weight of 614.67 g/mol. Its IUPAC name is 7-(4-hydroxyphenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxamide.

Molecular Properties

Compound Name7-(4-hydroxyphenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxamide
PubChem CID142445491
Molecular FormulaC34H33F3N6O2
Molecular Weight614.67 g/mol
Exact Mass614.26
IUPAC Name7-(4-hydroxyphenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxamide
SMILESCN1CCN(Cc2ccc(NC(=O)C3CCc4c(c(-c5ccc(O)cc5)nc5ccc6[nH]ncc6c45)C3)cc2C(F)(F)F)CC1
InChIInChI=1S/C34H33F3N6O2/c1-42-12-14-43(15-13-42)19-22-2-6-23(17-28(22)34(35,36)37)39-33(45)21-5-9-25-26(16-21)32(20-3-7-24(44)8-4-20)40-30-11-10-29-27(31(25)30)18-38-41-29/h2-4,6-8,10-11,17-18,21,44H,5,9,12-16,19H2,1H3,(H,38,41)(H,39,45)
InChIKeyABEBSXVMGOYFOP-UHFFFAOYSA-N
XLogP5.99
TPSA97.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.67
LogP ≤ 55.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 7-(4-hydroxyphenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(4-hydroxyphenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxamide?
The IUPAC name of 7-(4-hydroxyphenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxamide (CID 142445491) is 7-(4-hydroxyphenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxamide.
What is the SMILES notation for 7-(4-hydroxyphenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxamide?
The canonical SMILES for 7-(4-hydroxyphenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxamide is CN1CCN(Cc2ccc(NC(=O)C3CCc4c(c(-c5ccc(O)cc5)nc5ccc6[nH]ncc6c45)C3)cc2C(F)(F)F)CC1.
What is the InChIKey of 7-(4-hydroxyphenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxamide?
The InChIKey is ABEBSXVMGOYFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33F3N6O2/c1-42-12-14-43(15-13-42)19-22-2-6-23(17-28(22)34(35,36)37)39-33(45)21-5-9-25-26(16-21)32(20-3-7-24(44)8-4-20)40-30-11-10-29-27(31(25)30)18-38-41-29/h2-4,6-8,10-11,17-18,21,44H,5,9,12-16,19H2,1H3,(H,38,41)(H,39,45).
What are the key properties of 7-(4-hydroxyphenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxamide?
7-(4-hydroxyphenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxamide has a molecular weight of 614.67 g/mol, XLogP of 5.99, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-hydroxyphenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxamide is sourced from PubChem (CID 142445491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).