(2R)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;(2R)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-3-(tetrazol-1-yl)propan-2-ol

C47H41F7N10O4 — CID 160622124

IUPAC(2R)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;(2R)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-3-(tetrazol-1-yl)propan-2-ol
SMILESCCOc1ccc(-c2ccc(C(F)(F)[C@](O)(Cn3cnnn3)c3ccc(C)cc3F)nc2)cc1.CCOc1ccc(-c2ccc(C(F)(F)[C@](O)(Cn3cnnn3)c3ccc(F)cc3F)nc2)cc1
InChIInChI=1S/C24H22F3N5O2.C23H19F4N5O2/c1-3-34-19-8-5-17(6-9-19)18-7-11-22(28-13-18)24(26,27)23(33,14-32-15-29-30-31-32)20-10-4-16(2)12-21(20)25;1-2-34-18-7-3-15(4-8-18)16-5-10-21(28-12-16)23(26,27)22(33,13-32-14-29-30-31-32)19-9-6-17(24)11-20(19)25/h4-13,15,33H,3,14H2,1-2H3;3-12,14,33H,2,13H2,1H3/t23-;22-/m00/s1
InChIKeyRGVLTKUJULVXGE-UGHHBTDHSA-N
MW942.90 g/mol
LogP8.35
Rot. Bonds16

About (2R)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;(2R)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-3-(tetrazol-1-yl)propan-2-ol

(2R)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;(2R)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-3-(tetrazol-1-yl)propan-2-ol (PubChem CID 160622124) has the molecular formula C47H41F7N10O4 and a molecular weight of 942.90 g/mol. Its IUPAC name is (2R)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;(2R)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-3-(tetrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;(2R)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-3-(tetrazol-1-yl)propan-2-ol
PubChem CID160622124
Molecular FormulaC47H41F7N10O4
Molecular Weight942.90 g/mol
Exact Mass942.32
IUPAC Name(2R)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;(2R)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-3-(tetrazol-1-yl)propan-2-ol
SMILESCCOc1ccc(-c2ccc(C(F)(F)[C@](O)(Cn3cnnn3)c3ccc(C)cc3F)nc2)cc1.CCOc1ccc(-c2ccc(C(F)(F)[C@](O)(Cn3cnnn3)c3ccc(F)cc3F)nc2)cc1
InChIInChI=1S/C24H22F3N5O2.C23H19F4N5O2/c1-3-34-19-8-5-17(6-9-19)18-7-11-22(28-13-18)24(26,27)23(33,14-32-15-29-30-31-32)20-10-4-16(2)12-21(20)25;1-2-34-18-7-3-15(4-8-18)16-5-10-21(28-12-16)23(26,27)22(33,13-32-14-29-30-31-32)19-9-6-17(24)11-20(19)25/h4-13,15,33H,3,14H2,1-2H3;3-12,14,33H,2,13H2,1H3/t23-;22-/m00/s1
InChIKeyRGVLTKUJULVXGE-UGHHBTDHSA-N
XLogP8.35
TPSA171.90 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500942.90
LogP ≤ 58.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze (2R)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;(2R)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-3-(tetrazol-1-yl)propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;(2R)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-3-(tetrazol-1-yl)propan-2-ol?
The IUPAC name of (2R)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;(2R)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-3-(tetrazol-1-yl)propan-2-ol (CID 160622124) is (2R)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;(2R)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-3-(tetrazol-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;(2R)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-3-(tetrazol-1-yl)propan-2-ol?
The canonical SMILES for (2R)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;(2R)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-3-(tetrazol-1-yl)propan-2-ol is CCOc1ccc(-c2ccc(C(F)(F)[C@](O)(Cn3cnnn3)c3ccc(C)cc3F)nc2)cc1.CCOc1ccc(-c2ccc(C(F)(F)[C@](O)(Cn3cnnn3)c3ccc(F)cc3F)nc2)cc1.
What is the InChIKey of (2R)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;(2R)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-3-(tetrazol-1-yl)propan-2-ol?
The InChIKey is RGVLTKUJULVXGE-UGHHBTDHSA-N. The full InChI is InChI=1S/C24H22F3N5O2.C23H19F4N5O2/c1-3-34-19-8-5-17(6-9-19)18-7-11-22(28-13-18)24(26,27)23(33,14-32-15-29-30-31-32)20-10-4-16(2)12-21(20)25;1-2-34-18-7-3-15(4-8-18)16-5-10-21(28-12-16)23(26,27)22(33,13-32-14-29-30-31-32)19-9-6-17(24)11-20(19)25/h4-13,15,33H,3,14H2,1-2H3;3-12,14,33H,2,13H2,1H3/t23-;22-/m00/s1.
What are the key properties of (2R)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;(2R)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-3-(tetrazol-1-yl)propan-2-ol?
(2R)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;(2R)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-3-(tetrazol-1-yl)propan-2-ol has a molecular weight of 942.90 g/mol, XLogP of 8.35, 16 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;(2R)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-3-(tetrazol-1-yl)propan-2-ol is sourced from PubChem (CID 160622124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).