1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol

C20H20F4N2O2 — CID 11618165

IUPAC1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol
SMILESCOc1ccc(F)cc1C(C)(C)CC(O)(c1cc2ccncc2[nH]1)C(F)(F)F
InChIInChI=1S/C20H20F4N2O2/c1-18(2,14-9-13(21)4-5-16(14)28-3)11-19(27,20(22,23)24)17-8-12-6-7-25-10-15(12)26-17/h4-10,26-27H,11H2,1-3H3
InChIKeyMTSVGXFHLWIANW-UHFFFAOYSA-N
MW396.38 g/mol
LogP4.83
Rot. Bonds5

About 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol

1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol (PubChem CID 11618165) has the molecular formula C20H20F4N2O2 and a molecular weight of 396.38 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol
PubChem CID11618165
Molecular FormulaC20H20F4N2O2
Molecular Weight396.38 g/mol
Exact Mass396.15
IUPAC Name1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol
SMILESCOc1ccc(F)cc1C(C)(C)CC(O)(c1cc2ccncc2[nH]1)C(F)(F)F
InChIInChI=1S/C20H20F4N2O2/c1-18(2,14-9-13(21)4-5-16(14)28-3)11-19(27,20(22,23)24)17-8-12-6-7-25-10-15(12)26-17/h4-10,26-27H,11H2,1-3H3
InChIKeyMTSVGXFHLWIANW-UHFFFAOYSA-N
XLogP4.83
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.38
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol?
The IUPAC name of 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol (CID 11618165) is 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol is COc1ccc(F)cc1C(C)(C)CC(O)(c1cc2ccncc2[nH]1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol?
The InChIKey is MTSVGXFHLWIANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4N2O2/c1-18(2,14-9-13(21)4-5-16(14)28-3)11-19(27,20(22,23)24)17-8-12-6-7-25-10-15(12)26-17/h4-10,26-27H,11H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol?
1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol has a molecular weight of 396.38 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol is sourced from PubChem (CID 11618165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).