propan-1-ol;(2R)-1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-(5H-pyrrolo[3,2-d]pyrimidin-6-ylmethyl)pentan-2-ol

C23H29F4N3O2 — CID 66671275

IUPACpropan-1-ol;(2R)-1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-(5H-pyrrolo[3,2-d]pyrimidin-6-ylmethyl)pentan-2-ol
SMILESCCCO.Cc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2ncncc2[nH]1)C(F)(F)F
InChIInChI=1S/C20H21F4N3O.C3H8O/c1-12-4-5-13(21)6-15(12)18(2,3)10-19(28,20(22,23)24)8-14-7-16-17(27-14)9-25-11-26-16;1-2-3-4/h4-7,9,11,27-28H,8,10H2,1-3H3;4H,2-3H2,1H3/t19-;/m0./s1
InChIKeyRNCCDNRNOGEKPQ-FYZYNONXSA-N
MW455.50 g/mol
LogP5.00
Rot. Bonds6

About propan-1-ol;(2R)-1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-(5H-pyrrolo[3,2-d]pyrimidin-6-ylmethyl)pentan-2-ol

propan-1-ol;(2R)-1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-(5H-pyrrolo[3,2-d]pyrimidin-6-ylmethyl)pentan-2-ol (PubChem CID 66671275) has the molecular formula C23H29F4N3O2 and a molecular weight of 455.50 g/mol. Its IUPAC name is propan-1-ol;(2R)-1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-(5H-pyrrolo[3,2-d]pyrimidin-6-ylmethyl)pentan-2-ol.

Molecular Properties

Compound Namepropan-1-ol;(2R)-1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-(5H-pyrrolo[3,2-d]pyrimidin-6-ylmethyl)pentan-2-ol
PubChem CID66671275
Molecular FormulaC23H29F4N3O2
Molecular Weight455.50 g/mol
Exact Mass455.22
IUPAC Namepropan-1-ol;(2R)-1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-(5H-pyrrolo[3,2-d]pyrimidin-6-ylmethyl)pentan-2-ol
SMILESCCCO.Cc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2ncncc2[nH]1)C(F)(F)F
InChIInChI=1S/C20H21F4N3O.C3H8O/c1-12-4-5-13(21)6-15(12)18(2,3)10-19(28,20(22,23)24)8-14-7-16-17(27-14)9-25-11-26-16;1-2-3-4/h4-7,9,11,27-28H,8,10H2,1-3H3;4H,2-3H2,1H3/t19-;/m0./s1
InChIKeyRNCCDNRNOGEKPQ-FYZYNONXSA-N
XLogP5.00
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.50
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze propan-1-ol;(2R)-1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-(5H-pyrrolo[3,2-d]pyrimidin-6-ylmethyl)pentan-2-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 propan-1-ol;(2R)-1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-(5H-pyrrolo[3,2-d]pyrimidin-6-ylmethyl)pentan-2-ol?
The IUPAC name of propan-1-ol;(2R)-1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-(5H-pyrrolo[3,2-d]pyrimidin-6-ylmethyl)pentan-2-ol (CID 66671275) is propan-1-ol;(2R)-1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-(5H-pyrrolo[3,2-d]pyrimidin-6-ylmethyl)pentan-2-ol.
What is the SMILES notation for propan-1-ol;(2R)-1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-(5H-pyrrolo[3,2-d]pyrimidin-6-ylmethyl)pentan-2-ol?
The canonical SMILES for propan-1-ol;(2R)-1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-(5H-pyrrolo[3,2-d]pyrimidin-6-ylmethyl)pentan-2-ol is CCCO.Cc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2ncncc2[nH]1)C(F)(F)F.
What is the InChIKey of propan-1-ol;(2R)-1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-(5H-pyrrolo[3,2-d]pyrimidin-6-ylmethyl)pentan-2-ol?
The InChIKey is RNCCDNRNOGEKPQ-FYZYNONXSA-N. The full InChI is InChI=1S/C20H21F4N3O.C3H8O/c1-12-4-5-13(21)6-15(12)18(2,3)10-19(28,20(22,23)24)8-14-7-16-17(27-14)9-25-11-26-16;1-2-3-4/h4-7,9,11,27-28H,8,10H2,1-3H3;4H,2-3H2,1H3/t19-;/m0./s1.
What are the key properties of propan-1-ol;(2R)-1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-(5H-pyrrolo[3,2-d]pyrimidin-6-ylmethyl)pentan-2-ol?
propan-1-ol;(2R)-1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-(5H-pyrrolo[3,2-d]pyrimidin-6-ylmethyl)pentan-2-ol has a molecular weight of 455.50 g/mol, XLogP of 5.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-1-ol;(2R)-1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-(5H-pyrrolo[3,2-d]pyrimidin-6-ylmethyl)pentan-2-ol is sourced from PubChem (CID 66671275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).