cyclopentyl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-3-yl]methanol

C24H24F3N5O — CID 166867789

IUPACcyclopentyl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-3-yl]methanol
SMILESOC(C1CCCC1)n1ncc2c3c4c(c(-c5cn[nH]c5C(F)(F)F)nc3ccc21)CCCC4
InChIInChI=1S/C24H24F3N5O/c25-24(26,27)22-17(11-28-31-22)21-15-8-4-3-7-14(15)20-16-12-29-32(19(16)10-9-18(20)30-21)23(33)13-5-1-2-6-13/h9-13,23,33H,1-8H2,(H,28,31)
InChIKeyQAWMXGDYTJVXMK-UHFFFAOYSA-N
MW455.48 g/mol
LogP5.55
Rot. Bonds3

About cyclopentyl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-3-yl]methanol

cyclopentyl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-3-yl]methanol (PubChem CID 166867789) has the molecular formula C24H24F3N5O and a molecular weight of 455.48 g/mol. Its IUPAC name is cyclopentyl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-3-yl]methanol.

Molecular Properties

Compound Namecyclopentyl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-3-yl]methanol
PubChem CID166867789
Molecular FormulaC24H24F3N5O
Molecular Weight455.48 g/mol
Exact Mass455.19
IUPAC Namecyclopentyl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-3-yl]methanol
SMILESOC(C1CCCC1)n1ncc2c3c4c(c(-c5cn[nH]c5C(F)(F)F)nc3ccc21)CCCC4
InChIInChI=1S/C24H24F3N5O/c25-24(26,27)22-17(11-28-31-22)21-15-8-4-3-7-14(15)20-16-12-29-32(19(16)10-9-18(20)30-21)23(33)13-5-1-2-6-13/h9-13,23,33H,1-8H2,(H,28,31)
InChIKeyQAWMXGDYTJVXMK-UHFFFAOYSA-N
XLogP5.55
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.48
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine
CID 164624891
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
7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-amine
CID 155151626
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
1-pyridin-4-ylsulfonyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine
CID 155151798
[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
N-(1H-pyrazol-4-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide
CID 155151753
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
N-(5-methyl-1,3,4-thiadiazol-2-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide
CID 155151754
4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazole-5-carboxamide
CID 155151663
7-(2H-triazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
CID 150584799
[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

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-3-yl]methanol?
The IUPAC name of cyclopentyl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-3-yl]methanol (CID 166867789) is cyclopentyl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-3-yl]methanol.
What is the SMILES notation for cyclopentyl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-3-yl]methanol?
The canonical SMILES for cyclopentyl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-3-yl]methanol is OC(C1CCCC1)n1ncc2c3c4c(c(-c5cn[nH]c5C(F)(F)F)nc3ccc21)CCCC4.
What is the InChIKey of cyclopentyl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-3-yl]methanol?
The InChIKey is QAWMXGDYTJVXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O/c25-24(26,27)22-17(11-28-31-22)21-15-8-4-3-7-14(15)20-16-12-29-32(19(16)10-9-18(20)30-21)23(33)13-5-1-2-6-13/h9-13,23,33H,1-8H2,(H,28,31).
What are the key properties of cyclopentyl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-3-yl]methanol?
cyclopentyl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-3-yl]methanol has a molecular weight of 455.48 g/mol, XLogP of 5.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-3-yl]methanol is sourced from PubChem (CID 166867789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).