2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(3-propan-2-yloxypropyl)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol

C21H23F4N5O2 — CID 71143730

IUPAC2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(3-propan-2-yloxypropyl)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol
SMILESCC(C)OCCCc1ccc(C(F)(F)C(O)(Cn2cnnn2)c2ccc(F)cc2F)nc1
InChIInChI=1S/C21H23F4N5O2/c1-14(2)32-9-3-4-15-5-8-19(26-11-15)21(24,25)20(31,12-30-13-27-28-29-30)17-7-6-16(22)10-18(17)23/h5-8,10-11,13-14,31H,3-4,9,12H2,1-2H3
InChIKeyFEHCIDFDLPRTIN-UHFFFAOYSA-N
MW453.44 g/mol
LogP3.38
Rot. Bonds10

About 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(3-propan-2-yloxypropyl)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol

2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(3-propan-2-yloxypropyl)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol (PubChem CID 71143730) has the molecular formula C21H23F4N5O2 and a molecular weight of 453.44 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(3-propan-2-yloxypropyl)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(3-propan-2-yloxypropyl)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol
PubChem CID71143730
Molecular FormulaC21H23F4N5O2
Molecular Weight453.44 g/mol
Exact Mass453.18
IUPAC Name2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(3-propan-2-yloxypropyl)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol
SMILESCC(C)OCCCc1ccc(C(F)(F)C(O)(Cn2cnnn2)c2ccc(F)cc2F)nc1
InChIInChI=1S/C21H23F4N5O2/c1-14(2)32-9-3-4-15-5-8-19(26-11-15)21(24,25)20(31,12-30-13-27-28-29-30)17-7-6-16(22)10-18(17)23/h5-8,10-11,13-14,31H,3-4,9,12H2,1-2H3
InChIKeyFEHCIDFDLPRTIN-UHFFFAOYSA-N
XLogP3.38
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(3-hydroxypropyl)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol
CID 71143741
2-(2,4-difluorophenyl)-1-[5-[(E)-3-ethoxyprop-1-enyl]-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;2-(2,4-difluorophenyl)-1-[5-(3-ethoxypropyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol
CID 160926030
2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-iodo-2-pyridinyl)-3-(tetrazol-1-yl)propan-2-ol
CID 134572212
4-[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]-3-pyridinyl]but-3-yn-2-ol
CID 71621943
1-[5-(2-chloropyrimidin-5-yl)-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol
CID 71478182
4-[4-[[4-[2-[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]-3-pyridinyl]ethynyl]phenoxy]methyl]phenyl]butanenitrile
CID 161152008
2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(pyridin-4-ylmethoxy)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol
CID 71139365
2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propan-2-ol
CID 71476550
1-[5-[5-(difluoromethyl)thiophen-2-yl]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol
CID 71477609
(2E)-2-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]-3-pyridinyl]methylidene]butanoic acid
CID 137422309
2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-(2,2,2-trifluoroethylsulfanyl)-2-pyridinyl]propan-2-ol
CID 71475733
2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[2-[4-[[4-(hydroxymethyl)phenyl]methoxy]phenyl]ethynyl]-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol
CID 86567844

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(3-propan-2-yloxypropyl)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(3-propan-2-yloxypropyl)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol (CID 71143730) is 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(3-propan-2-yloxypropyl)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(3-propan-2-yloxypropyl)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(3-propan-2-yloxypropyl)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol is CC(C)OCCCc1ccc(C(F)(F)C(O)(Cn2cnnn2)c2ccc(F)cc2F)nc1.
What is the InChIKey of 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(3-propan-2-yloxypropyl)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol?
The InChIKey is FEHCIDFDLPRTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F4N5O2/c1-14(2)32-9-3-4-15-5-8-19(26-11-15)21(24,25)20(31,12-30-13-27-28-29-30)17-7-6-16(22)10-18(17)23/h5-8,10-11,13-14,31H,3-4,9,12H2,1-2H3.
What are the key properties of 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(3-propan-2-yloxypropyl)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol?
2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(3-propan-2-yloxypropyl)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol has a molecular weight of 453.44 g/mol, XLogP of 3.38, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(3-propan-2-yloxypropyl)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol is sourced from PubChem (CID 71143730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).