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

C23H30N8O3S — CID 155619084

IUPAC5-[2-(dimethylamino)ethoxy]-1-(dimethylsulfamoylamino)-7-(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]c4)nc12)CCCC3
InChIInChI=1S/C23H30N8O3S/c1-30(2)9-10-34-18-11-17-20(23(28-27-17)29-35(32,33)31(3)4)19-15-7-5-6-8-16(15)21(26-22(18)19)14-12-24-25-13-14/h11-13H,5-10H2,1-4H3,(H,24,25)(H2,27,28,29)
InChIKeyAPKKLLQBDAIRMV-UHFFFAOYSA-N
MW498.61 g/mol
LogP2.54
Rot. Bonds8

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

5-[2-(dimethylamino)ethoxy]-1-(dimethylsulfamoylamino)-7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine (PubChem CID 155619084) has the molecular formula C23H30N8O3S and a molecular weight of 498.61 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethoxy]-1-(dimethylsulfamoylamino)-7-(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-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine
PubChem CID155619084
Molecular FormulaC23H30N8O3S
Molecular Weight498.61 g/mol
Exact Mass498.22
IUPAC Name5-[2-(dimethylamino)ethoxy]-1-(dimethylsulfamoylamino)-7-(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]c4)nc12)CCCC3
InChIInChI=1S/C23H30N8O3S/c1-30(2)9-10-34-18-11-17-20(23(28-27-17)29-35(32,33)31(3)4)19-15-7-5-6-8-16(15)21(26-22(18)19)14-12-24-25-13-14/h11-13H,5-10H2,1-4H3,(H,24,25)(H2,27,28,29)
InChIKeyAPKKLLQBDAIRMV-UHFFFAOYSA-N
XLogP2.54
TPSA132.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

8-[2-(1H-Indazol-5-ylamino)-1-methyl-ethoxy]-quinolin-2-ylamine
CID 44394607
4-methoxy-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine
CID 155151640
5-[3-(4-methylpiperazin-1-yl)propoxy]-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine
CID 155151764
4-[3-[[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]propyl]morpholine
CID 155151766
5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine
CID 155151767
4-[2-[[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine
CID 155151775
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
5-ethoxy-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine
CID 155152069
2-methoxy-N-methyl-N-[2-[[9-methyl-8-propyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-6,7-dihydro-3H-pyrazolo[4,3-f]quinolin-5-yl]oxy]ethyl]ethanamine
CID 155152110
4-(1H-indol-5-yl)-7-(3-pyrrol-1-ylpropoxy)-1H-indazol-3-amine
CID 11383146
1-[4-[3-amino-7-(3-pyrrol-1-ylpropoxy)-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea
CID 66681904
4-phenyl-7-(3-pyrrol-1-ylpropoxy)-1H-indazol-3-amine
CID 141106186

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethoxy]-1-(dimethylsulfamoylamino)-7-(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-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine (CID 155619084) is 5-[2-(dimethylamino)ethoxy]-1-(dimethylsulfamoylamino)-7-(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-(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-(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]c4)nc12)CCCC3.
What is the InChIKey of 5-[2-(dimethylamino)ethoxy]-1-(dimethylsulfamoylamino)-7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine?
The InChIKey is APKKLLQBDAIRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N8O3S/c1-30(2)9-10-34-18-11-17-20(23(28-27-17)29-35(32,33)31(3)4)19-15-7-5-6-8-16(15)21(26-22(18)19)14-12-24-25-13-14/h11-13H,5-10H2,1-4H3,(H,24,25)(H2,27,28,29).
What are the key properties of 5-[2-(dimethylamino)ethoxy]-1-(dimethylsulfamoylamino)-7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine?
5-[2-(dimethylamino)ethoxy]-1-(dimethylsulfamoylamino)-7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine has a molecular weight of 498.61 g/mol, XLogP of 2.54, 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-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine is sourced from PubChem (CID 155619084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).