[4-fluoro-3-(trifluoromethyl)phenyl]-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol

C19H17F4N3O2 — CID 145143567

IUPAC[4-fluoro-3-(trifluoromethyl)phenyl]-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol
SMILESCc1ncnc2c1ccn2C1CCC(C(O)c2ccc(F)c(C(F)(F)F)c2)O1
InChIInChI=1S/C19H17F4N3O2/c1-10-12-6-7-26(18(12)25-9-24-10)16-5-4-15(28-16)17(27)11-2-3-14(20)13(8-11)19(21,22)23/h2-3,6-9,15-17,27H,4-5H2,1H3
InChIKeyAEFDZDRBDKBRCS-UHFFFAOYSA-N
MW395.36 g/mol
LogP4.31
Rot. Bonds3

About [4-fluoro-3-(trifluoromethyl)phenyl]-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol

[4-fluoro-3-(trifluoromethyl)phenyl]-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol (PubChem CID 145143567) has the molecular formula C19H17F4N3O2 and a molecular weight of 395.36 g/mol. Its IUPAC name is [4-fluoro-3-(trifluoromethyl)phenyl]-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[4-fluoro-3-(trifluoromethyl)phenyl]-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol
PubChem CID145143567
Molecular FormulaC19H17F4N3O2
Molecular Weight395.36 g/mol
Exact Mass395.13
IUPAC Name[4-fluoro-3-(trifluoromethyl)phenyl]-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol
SMILESCc1ncnc2c1ccn2C1CCC(C(O)c2ccc(F)c(C(F)(F)F)c2)O1
InChIInChI=1S/C19H17F4N3O2/c1-10-12-6-7-26(18(12)25-9-24-10)16-5-4-15(28-16)17(27)11-2-3-14(20)13(8-11)19(21,22)23/h2-3,6-9,15-17,27H,4-5H2,1H3
InChIKeyAEFDZDRBDKBRCS-UHFFFAOYSA-N
XLogP4.31
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.36
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-fluoro-3-(trifluoromethyl)phenyl]-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol with MolForge

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

Launch Full Analysis

Related Compounds

(3-chlorophenyl)-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol
CID 145143731
(2-fluorophenyl)-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol
CID 145183403
(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]-hydroxymethyl]-3-methyloxolane-3,4-diol
CID 137479677
(2R,3S,4R,5R)-2-[(4-fluoro-3-methylphenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
CID 139519011
(2R,3R,5S)-5-[(R)-(3-fluorophenyl)-hydroxymethyl]-2-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-3-ol
CID 163496401
(2R,3S,4R,5R)-2-[(R)-(3-chloro-4-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
CID 122496932
2-[amino-(3,4-difluorophenyl)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
CID 122496916
[5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]-(4-chlorophenyl)methanol
CID 155706421
(2R,3S,4R,5R)-2-[(3-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
CID 139519001
(2R,3S,4R,5R)-2-[(S)-3-bicyclo[4.2.0]octa-1(6),2,4-trienyl(hydroxy)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
CID 162505668
(2R,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-[(R)-(4-chloro-3-fluorophenyl)-hydroxymethyl]-3-(trifluoromethyl)oxolan-3-ol
CID 137490969
2-[cyclopropyl(hydroxy)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
CID 139538535

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(trifluoromethyl)phenyl]-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol?
The IUPAC name of [4-fluoro-3-(trifluoromethyl)phenyl]-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol (CID 145143567) is [4-fluoro-3-(trifluoromethyl)phenyl]-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol.
What is the SMILES notation for [4-fluoro-3-(trifluoromethyl)phenyl]-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol?
The canonical SMILES for [4-fluoro-3-(trifluoromethyl)phenyl]-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol is Cc1ncnc2c1ccn2C1CCC(C(O)c2ccc(F)c(C(F)(F)F)c2)O1.
What is the InChIKey of [4-fluoro-3-(trifluoromethyl)phenyl]-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol?
The InChIKey is AEFDZDRBDKBRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4N3O2/c1-10-12-6-7-26(18(12)25-9-24-10)16-5-4-15(28-16)17(27)11-2-3-14(20)13(8-11)19(21,22)23/h2-3,6-9,15-17,27H,4-5H2,1H3.
What are the key properties of [4-fluoro-3-(trifluoromethyl)phenyl]-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol?
[4-fluoro-3-(trifluoromethyl)phenyl]-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol has a molecular weight of 395.36 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(trifluoromethyl)phenyl]-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol is sourced from PubChem (CID 145143567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).