N-(4,6-dimethylpyrimidin-2-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-amine

C24H21F3N8 — CID 155151708

IUPACN-(4,6-dimethylpyrimidin-2-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-amine
SMILESCc1cc(C)nc(NC2CCc3c(c(-c4cn[nH]c4C(F)(F)F)nc4ccc5[nH]ncc5c34)C2)n1
InChIInChI=1S/C24H21F3N8/c1-11-7-12(2)31-23(30-11)32-13-3-4-14-15(8-13)21(17-10-29-35-22(17)24(25,26)27)33-19-6-5-18-16(20(14)19)9-28-34-18/h5-7,9-10,13H,3-4,8H2,1-2H3,(H,28,34)(H,29,35)(H,30,31,32)
InChIKeyUQGOBFZJTLGEBY-UHFFFAOYSA-N
MW478.48 g/mol
LogP4.90
Rot. Bonds3

About N-(4,6-dimethylpyrimidin-2-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-amine

N-(4,6-dimethylpyrimidin-2-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-amine (PubChem CID 155151708) has the molecular formula C24H21F3N8 and a molecular weight of 478.48 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-amine.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-amine
PubChem CID155151708
Molecular FormulaC24H21F3N8
Molecular Weight478.48 g/mol
Exact Mass478.18
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-amine
SMILESCc1cc(C)nc(NC2CCc3c(c(-c4cn[nH]c4C(F)(F)F)nc4ccc5[nH]ncc5c34)C2)n1
InChIInChI=1S/C24H21F3N8/c1-11-7-12(2)31-23(30-11)32-13-3-4-14-15(8-13)21(17-10-29-35-22(17)24(25,26)27)33-19-6-5-18-16(20(14)19)9-28-34-18/h5-7,9-10,13H,3-4,8H2,1-2H3,(H,28,34)(H,29,35)(H,30,31,32)
InChIKeyUQGOBFZJTLGEBY-UHFFFAOYSA-N
XLogP4.90
TPSA108.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.48
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(4,6-dimethylpyrimidin-2-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-amine with MolForge

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Related Compounds

11-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-4,5,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),3,7,10,12(15)-hexaene
CID 150409843
[5-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-9-yl]methanamine
CID 164624175
cyclopentyl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-3-yl]methanol
CID 166867789
9-(4-methylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline
CID 155151602
7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-amine
CID 155151626
9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridine
CID 155619047
1-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine
CID 164624891
7-(5-methyl-1H-pyrazol-4-yl)-9-propan-2-yl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridine
CID 161468389
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
5-fluoro-9-methylsulfanyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridine
CID 162609538
9-pyridin-4-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline
CID 164609817
[1-[2-amino-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-7,8,9,10-tetrahydrophenanthridin-1-yl]-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoethylidene]azanium
CID 142445478

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-amine?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-amine (CID 155151708) is N-(4,6-dimethylpyrimidin-2-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-amine.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-amine?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-amine is Cc1cc(C)nc(NC2CCc3c(c(-c4cn[nH]c4C(F)(F)F)nc4ccc5[nH]ncc5c34)C2)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-amine?
The InChIKey is UQGOBFZJTLGEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N8/c1-11-7-12(2)31-23(30-11)32-13-3-4-14-15(8-13)21(17-10-29-35-22(17)24(25,26)27)33-19-6-5-18-16(20(14)19)9-28-34-18/h5-7,9-10,13H,3-4,8H2,1-2H3,(H,28,34)(H,29,35)(H,30,31,32).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-amine?
N-(4,6-dimethylpyrimidin-2-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-amine has a molecular weight of 478.48 g/mol, XLogP of 4.90, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-amine is sourced from PubChem (CID 155151708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).