N',N'-dimethyl-N-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethane-1,2-diamine

C22H24F3N7 — CID 155151627

IUPACN',N'-dimethyl-N-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethane-1,2-diamine
SMILESCN(C)CCNc1n[nH]c2ccc3nc(-c4cn[nH]c4C(F)(F)F)c4c(c3c12)CCCC4
InChIInChI=1S/C22H24F3N7/c1-32(2)10-9-26-21-18-16(29-31-21)8-7-15-17(18)12-5-3-4-6-13(12)19(28-15)14-11-27-30-20(14)22(23,24)25/h7-8,11H,3-6,9-10H2,1-2H3,(H,27,30)(H2,26,29,31)
InChIKeyARYOYAHDCXPWHA-UHFFFAOYSA-N
MW443.48 g/mol
LogP4.37
Rot. Bonds5

About N',N'-dimethyl-N-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethane-1,2-diamine

N',N'-dimethyl-N-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethane-1,2-diamine (PubChem CID 155151627) has the molecular formula C22H24F3N7 and a molecular weight of 443.48 g/mol. Its IUPAC name is N',N'-dimethyl-N-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethane-1,2-diamine
PubChem CID155151627
Molecular FormulaC22H24F3N7
Molecular Weight443.48 g/mol
Exact Mass443.20
IUPAC NameN',N'-dimethyl-N-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethane-1,2-diamine
SMILESCN(C)CCNc1n[nH]c2ccc3nc(-c4cn[nH]c4C(F)(F)F)c4c(c3c12)CCCC4
InChIInChI=1S/C22H24F3N7/c1-32(2)10-9-26-21-18-16(29-31-21)8-7-15-17(18)12-5-3-4-6-13(12)19(28-15)14-11-27-30-20(14)22(23,24)25/h7-8,11H,3-6,9-10H2,1-2H3,(H,27,30)(H2,26,29,31)
InChIKeyARYOYAHDCXPWHA-UHFFFAOYSA-N
XLogP4.37
TPSA85.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N',N'-dimethyl-N-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethane-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethane-1,2-diamine (CID 155151627) is N',N'-dimethyl-N-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethane-1,2-diamine is CN(C)CCNc1n[nH]c2ccc3nc(-c4cn[nH]c4C(F)(F)F)c4c(c3c12)CCCC4.
What is the InChIKey of N',N'-dimethyl-N-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethane-1,2-diamine?
The InChIKey is ARYOYAHDCXPWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N7/c1-32(2)10-9-26-21-18-16(29-31-21)8-7-15-17(18)12-5-3-4-6-13(12)19(28-15)14-11-27-30-20(14)22(23,24)25/h7-8,11H,3-6,9-10H2,1-2H3,(H,27,30)(H2,26,29,31).
What are the key properties of N',N'-dimethyl-N-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethane-1,2-diamine?
N',N'-dimethyl-N-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethane-1,2-diamine has a molecular weight of 443.48 g/mol, XLogP of 4.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethane-1,2-diamine is sourced from PubChem (CID 155151627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).