7-fluoro-6-(hydroxymethyl)-1-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-naphthalen-1-ol

C26H22F4N4O2S — CID 70977999

IUPAC7-fluoro-6-(hydroxymethyl)-1-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-naphthalen-1-ol
SMILESCc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc(C3(O)CCCc4cc(CO)c(F)cc43)s2)c1
InChIInChI=1S/C26H22F4N4O2S/c1-14-7-20(33-23(8-14)34-22-10-17(4-6-31-22)26(28,29)30)21-12-32-24(37-21)25(36)5-2-3-15-9-16(13-35)19(27)11-18(15)25/h4,6-12,35-36H,2-3,5,13H2,1H3,(H,31,33,34)
InChIKeyJWIKEEYVOMFXFM-UHFFFAOYSA-N
MW530.55 g/mol
LogP5.87
Rot. Bonds5

About 7-fluoro-6-(hydroxymethyl)-1-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-naphthalen-1-ol

7-fluoro-6-(hydroxymethyl)-1-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 70977999) has the molecular formula C26H22F4N4O2S and a molecular weight of 530.55 g/mol. Its IUPAC name is 7-fluoro-6-(hydroxymethyl)-1-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name7-fluoro-6-(hydroxymethyl)-1-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID70977999
Molecular FormulaC26H22F4N4O2S
Molecular Weight530.55 g/mol
Exact Mass530.14
IUPAC Name7-fluoro-6-(hydroxymethyl)-1-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-naphthalen-1-ol
SMILESCc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc(C3(O)CCCc4cc(CO)c(F)cc43)s2)c1
InChIInChI=1S/C26H22F4N4O2S/c1-14-7-20(33-23(8-14)34-22-10-17(4-6-31-22)26(28,29)30)21-12-32-24(37-21)25(36)5-2-3-15-9-16(13-35)19(27)11-18(15)25/h4,6-12,35-36H,2-3,5,13H2,1H3,(H,31,33,34)
InChIKeyJWIKEEYVOMFXFM-UHFFFAOYSA-N
XLogP5.87
TPSA91.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.55
LogP ≤ 55.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 7-fluoro-6-(hydroxymethyl)-1-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-naphthalen-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-(hydroxymethyl)-1-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of 7-fluoro-6-(hydroxymethyl)-1-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-naphthalen-1-ol (CID 70977999) is 7-fluoro-6-(hydroxymethyl)-1-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for 7-fluoro-6-(hydroxymethyl)-1-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for 7-fluoro-6-(hydroxymethyl)-1-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-naphthalen-1-ol is Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc(C3(O)CCCc4cc(CO)c(F)cc43)s2)c1.
What is the InChIKey of 7-fluoro-6-(hydroxymethyl)-1-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is JWIKEEYVOMFXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F4N4O2S/c1-14-7-20(33-23(8-14)34-22-10-17(4-6-31-22)26(28,29)30)21-12-32-24(37-21)25(36)5-2-3-15-9-16(13-35)19(27)11-18(15)25/h4,6-12,35-36H,2-3,5,13H2,1H3,(H,31,33,34).
What are the key properties of 7-fluoro-6-(hydroxymethyl)-1-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-naphthalen-1-ol?
7-fluoro-6-(hydroxymethyl)-1-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 530.55 g/mol, XLogP of 5.87, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-(hydroxymethyl)-1-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 70977999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).