2-fluoro-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-4-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]benzamide

C21H18F4N8O2 — CID 147587063

IUPAC2-fluoro-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-4-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]benzamide
SMILESCc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-c1cnn(C(F)(F)F)c1
InChIInChI=1S/C21H18F4N8O2/c1-11-6-16(22)15(7-14(11)13-8-26-32(9-13)21(23,24)25)20(35)28-18-5-3-4-17(27-18)19-29-30-31-33(19)12(2)10-34/h3-9,12,34H,10H2,1-2H3,(H,27,28,35)/t12-/m1/s1
InChIKeyFXNZHPIVDGZXLA-GFCCVEGCSA-N
MW490.42 g/mol
LogP3.33
Rot. Bonds6

About 2-fluoro-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-4-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]benzamide

2-fluoro-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-4-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]benzamide (PubChem CID 147587063) has the molecular formula C21H18F4N8O2 and a molecular weight of 490.42 g/mol. Its IUPAC name is 2-fluoro-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-4-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-4-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]benzamide
PubChem CID147587063
Molecular FormulaC21H18F4N8O2
Molecular Weight490.42 g/mol
Exact Mass490.15
IUPAC Name2-fluoro-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-4-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]benzamide
SMILESCc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-c1cnn(C(F)(F)F)c1
InChIInChI=1S/C21H18F4N8O2/c1-11-6-16(22)15(7-14(11)13-8-26-32(9-13)21(23,24)25)20(35)28-18-5-3-4-17(27-18)19-29-30-31-33(19)12(2)10-34/h3-9,12,34H,10H2,1-2H3,(H,27,28,35)/t12-/m1/s1
InChIKeyFXNZHPIVDGZXLA-GFCCVEGCSA-N
XLogP3.33
TPSA123.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.42
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

CID 71735119
CID 71735119
CID 118394045
CID 118394045
CID 154700581
CID 154700581
CID 46880105
CID 46880105
CID 46880226
CID 46880226
CID 57389723
CID 57389723
CID 57403758
CID 57403758
CID 71625408
CID 71625408
CID 72699430
CID 72699430
CID 118392437
CID 118392437
CID 155926924
CID 155926924
CID 71735439
CID 71735439

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-4-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]benzamide?
The IUPAC name of 2-fluoro-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-4-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]benzamide (CID 147587063) is 2-fluoro-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-4-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-4-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-4-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]benzamide is Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-c1cnn(C(F)(F)F)c1.
What is the InChIKey of 2-fluoro-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-4-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]benzamide?
The InChIKey is FXNZHPIVDGZXLA-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H18F4N8O2/c1-11-6-16(22)15(7-14(11)13-8-26-32(9-13)21(23,24)25)20(35)28-18-5-3-4-17(27-18)19-29-30-31-33(19)12(2)10-34/h3-9,12,34H,10H2,1-2H3,(H,27,28,35)/t12-/m1/s1.
What are the key properties of 2-fluoro-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-4-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]benzamide?
2-fluoro-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-4-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]benzamide has a molecular weight of 490.42 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-4-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 147587063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).