5-fluoro-3-[(Z)-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,3-a]phenanthridin-1-ylidene]methyl]-1H-indol-2-ol

C27H18F4N6O — CID 155151867

IUPAC5-fluoro-3-[(Z)-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,3-a]phenanthridin-1-ylidene]methyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccc(F)cc2c1/C=C1\N=Nc2ccc3nc(-c4cn[nH]c4C(F)(F)F)c4c(c3c21)CCCC4
InChIInChI=1S/C27H18F4N6O/c28-12-5-6-18-15(9-12)16(26(38)34-18)10-21-23-20(35-36-21)8-7-19-22(23)13-3-1-2-4-14(13)24(33-19)17-11-32-37-25(17)27(29,30)31/h5-11,34,38H,1-4H2,(H,32,37)/b21-10-
InChIKeyIONDZUSILPWHBB-FBHDLOMBSA-N
MW518.47 g/mol
LogP7.44
Rot. Bonds2

About 5-fluoro-3-[(Z)-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,3-a]phenanthridin-1-ylidene]methyl]-1H-indol-2-ol

5-fluoro-3-[(Z)-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,3-a]phenanthridin-1-ylidene]methyl]-1H-indol-2-ol (PubChem CID 155151867) has the molecular formula C27H18F4N6O and a molecular weight of 518.47 g/mol. Its IUPAC name is 5-fluoro-3-[(Z)-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,3-a]phenanthridin-1-ylidene]methyl]-1H-indol-2-ol.

Molecular Properties

Compound Name5-fluoro-3-[(Z)-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,3-a]phenanthridin-1-ylidene]methyl]-1H-indol-2-ol
PubChem CID155151867
Molecular FormulaC27H18F4N6O
Molecular Weight518.47 g/mol
Exact Mass518.15
IUPAC Name5-fluoro-3-[(Z)-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,3-a]phenanthridin-1-ylidene]methyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccc(F)cc2c1/C=C1\N=Nc2ccc3nc(-c4cn[nH]c4C(F)(F)F)c4c(c3c21)CCCC4
InChIInChI=1S/C27H18F4N6O/c28-12-5-6-18-15(9-12)16(26(38)34-18)10-21-23-20(35-36-21)8-7-19-22(23)13-3-1-2-4-14(13)24(33-19)17-11-32-37-25(17)27(29,30)31/h5-11,34,38H,1-4H2,(H,32,37)/b21-10-
InChIKeyIONDZUSILPWHBB-FBHDLOMBSA-N
XLogP7.44
TPSA102.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.47
LogP ≤ 57.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-3-[(Z)-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,3-a]phenanthridin-1-ylidene]methyl]-1H-indol-2-ol with MolForge

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Related Compounds

3-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol
CID 142445494
[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]methanol
CID 153521568
7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-ol
CID 164621548
3-[(1H-indazol-6-ylamino)methylene]-1,3-dihydro-2H-indol-2-one
CID 135521769
[[6-(1H-indazol-3-yl)naphthalen-2-yl]methylamino]-[2-[5,6,7-trifluoro-1-(5,6,7-trifluoro-3-quinolin-2-ylindol-1-yl)indol-3-yl]quinolin-5-yl]methanol
CID 126544044
3-[[4-(1,3-dihydroisoindol-2-yl)-3-(trifluoromethyl)phenyl]iminomethyl]-6-fluoro-1H-indol-2-ol
CID 135605135
3-[[4-(1,3-dihydroisoindol-2-yl)-3-(trifluoromethyl)phenyl]iminomethyl]-5-fluoro-1H-indol-2-ol
CID 135605153
4-fluoro-3-[[4-(2-pyridin-4-ylethylamino)-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol
CID 135605190
6-fluoro-3-[[4-(2-pyridin-2-ylethylamino)-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol
CID 135605266
4-fluoro-3-[[3-methyl-4-(3-pyridin-2-ylpyrrolidin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol
CID 135605284
4-fluoro-3-[[4-(3-pyridin-2-ylpyrrolidin-1-yl)-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol
CID 135605321
5-fluoro-3-(1H-indazol-6-yliminomethyl)-1H-indol-2-ol
CID 135605446

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[(Z)-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,3-a]phenanthridin-1-ylidene]methyl]-1H-indol-2-ol?
The IUPAC name of 5-fluoro-3-[(Z)-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,3-a]phenanthridin-1-ylidene]methyl]-1H-indol-2-ol (CID 155151867) is 5-fluoro-3-[(Z)-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,3-a]phenanthridin-1-ylidene]methyl]-1H-indol-2-ol.
What is the SMILES notation for 5-fluoro-3-[(Z)-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,3-a]phenanthridin-1-ylidene]methyl]-1H-indol-2-ol?
The canonical SMILES for 5-fluoro-3-[(Z)-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,3-a]phenanthridin-1-ylidene]methyl]-1H-indol-2-ol is Oc1[nH]c2ccc(F)cc2c1/C=C1\N=Nc2ccc3nc(-c4cn[nH]c4C(F)(F)F)c4c(c3c21)CCCC4.
What is the InChIKey of 5-fluoro-3-[(Z)-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,3-a]phenanthridin-1-ylidene]methyl]-1H-indol-2-ol?
The InChIKey is IONDZUSILPWHBB-FBHDLOMBSA-N. The full InChI is InChI=1S/C27H18F4N6O/c28-12-5-6-18-15(9-12)16(26(38)34-18)10-21-23-20(35-36-21)8-7-19-22(23)13-3-1-2-4-14(13)24(33-19)17-11-32-37-25(17)27(29,30)31/h5-11,34,38H,1-4H2,(H,32,37)/b21-10-.
What are the key properties of 5-fluoro-3-[(Z)-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,3-a]phenanthridin-1-ylidene]methyl]-1H-indol-2-ol?
5-fluoro-3-[(Z)-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,3-a]phenanthridin-1-ylidene]methyl]-1H-indol-2-ol has a molecular weight of 518.47 g/mol, XLogP of 7.44, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[(Z)-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,3-a]phenanthridin-1-ylidene]methyl]-1H-indol-2-ol is sourced from PubChem (CID 155151867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).