5-[2-(dimethylamino)ethoxy]-1-(dimethylsulfamoylamino)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine

C24H29F3N8O3S — CID 155152017

IUPAC5-[2-(dimethylamino)ethoxy]-1-(dimethylsulfamoylamino)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine
SMILESCN(C)CCOc1cc2[nH]nc(NS(=O)(=O)N(C)C)c2c2c3c(c(-c4cn[nH]c4C(F)(F)F)nc12)CCCC3
InChIInChI=1S/C24H29F3N8O3S/c1-34(2)9-10-38-17-11-16-19(23(32-30-16)33-39(36,37)35(3)4)18-13-7-5-6-8-14(13)20(29-21(17)18)15-12-28-31-22(15)24(25,26)27/h11-12H,5-10H2,1-4H3,(H,28,31)(H2,30,32,33)
InChIKeyRRXPKQSAMYIUSZ-UHFFFAOYSA-N
MW566.61 g/mol
LogP3.56
Rot. Bonds8

About 5-[2-(dimethylamino)ethoxy]-1-(dimethylsulfamoylamino)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine

5-[2-(dimethylamino)ethoxy]-1-(dimethylsulfamoylamino)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine (PubChem CID 155152017) has the molecular formula C24H29F3N8O3S and a molecular weight of 566.61 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethoxy]-1-(dimethylsulfamoylamino)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethoxy]-1-(dimethylsulfamoylamino)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine
PubChem CID155152017
Molecular FormulaC24H29F3N8O3S
Molecular Weight566.61 g/mol
Exact Mass566.20
IUPAC Name5-[2-(dimethylamino)ethoxy]-1-(dimethylsulfamoylamino)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine
SMILESCN(C)CCOc1cc2[nH]nc(NS(=O)(=O)N(C)C)c2c2c3c(c(-c4cn[nH]c4C(F)(F)F)nc12)CCCC3
InChIInChI=1S/C24H29F3N8O3S/c1-34(2)9-10-38-17-11-16-19(23(32-30-16)33-39(36,37)35(3)4)18-13-7-5-6-8-14(13)20(29-21(17)18)15-12-28-31-22(15)24(25,26)27/h11-12H,5-10H2,1-4H3,(H,28,31)(H2,30,32,33)
InChIKeyRRXPKQSAMYIUSZ-UHFFFAOYSA-N
XLogP3.56
TPSA132.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.61
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[2-(dimethylamino)ethoxy]-1-(dimethylsulfamoylamino)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethoxy]-1-(dimethylsulfamoylamino)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine?
The IUPAC name of 5-[2-(dimethylamino)ethoxy]-1-(dimethylsulfamoylamino)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine (CID 155152017) is 5-[2-(dimethylamino)ethoxy]-1-(dimethylsulfamoylamino)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine.
What is the SMILES notation for 5-[2-(dimethylamino)ethoxy]-1-(dimethylsulfamoylamino)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine?
The canonical SMILES for 5-[2-(dimethylamino)ethoxy]-1-(dimethylsulfamoylamino)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine is CN(C)CCOc1cc2[nH]nc(NS(=O)(=O)N(C)C)c2c2c3c(c(-c4cn[nH]c4C(F)(F)F)nc12)CCCC3.
What is the InChIKey of 5-[2-(dimethylamino)ethoxy]-1-(dimethylsulfamoylamino)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine?
The InChIKey is RRXPKQSAMYIUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N8O3S/c1-34(2)9-10-38-17-11-16-19(23(32-30-16)33-39(36,37)35(3)4)18-13-7-5-6-8-14(13)20(29-21(17)18)15-12-28-31-22(15)24(25,26)27/h11-12H,5-10H2,1-4H3,(H,28,31)(H2,30,32,33).
What are the key properties of 5-[2-(dimethylamino)ethoxy]-1-(dimethylsulfamoylamino)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine?
5-[2-(dimethylamino)ethoxy]-1-(dimethylsulfamoylamino)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine has a molecular weight of 566.61 g/mol, XLogP of 3.56, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethoxy]-1-(dimethylsulfamoylamino)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine is sourced from PubChem (CID 155152017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).