[2-(2,6-difluorophenyl)-4-pyridinyl]-[1-methyl-5-(1-methylpyrazol-4-yl)imidazol-2-yl]methanol

C20H17F2N5O — CID 91323180

IUPAC[2-(2,6-difluorophenyl)-4-pyridinyl]-[1-methyl-5-(1-methylpyrazol-4-yl)imidazol-2-yl]methanol
SMILESCn1cc(-c2cnc(C(O)c3ccnc(-c4c(F)cccc4F)c3)n2C)cn1
InChIInChI=1S/C20H17F2N5O/c1-26-11-13(9-25-26)17-10-24-20(27(17)2)19(28)12-6-7-23-16(8-12)18-14(21)4-3-5-15(18)22/h3-11,19,28H,1-2H3
InChIKeyCAJUDAWGBXNWKA-UHFFFAOYSA-N
MW381.39 g/mol
LogP3.24
Rot. Bonds4

About [2-(2,6-difluorophenyl)-4-pyridinyl]-[1-methyl-5-(1-methylpyrazol-4-yl)imidazol-2-yl]methanol

[2-(2,6-difluorophenyl)-4-pyridinyl]-[1-methyl-5-(1-methylpyrazol-4-yl)imidazol-2-yl]methanol (PubChem CID 91323180) has the molecular formula C20H17F2N5O and a molecular weight of 381.39 g/mol. Its IUPAC name is [2-(2,6-difluorophenyl)-4-pyridinyl]-[1-methyl-5-(1-methylpyrazol-4-yl)imidazol-2-yl]methanol.

Molecular Properties

Compound Name[2-(2,6-difluorophenyl)-4-pyridinyl]-[1-methyl-5-(1-methylpyrazol-4-yl)imidazol-2-yl]methanol
PubChem CID91323180
Molecular FormulaC20H17F2N5O
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC Name[2-(2,6-difluorophenyl)-4-pyridinyl]-[1-methyl-5-(1-methylpyrazol-4-yl)imidazol-2-yl]methanol
SMILESCn1cc(-c2cnc(C(O)c3ccnc(-c4c(F)cccc4F)c3)n2C)cn1
InChIInChI=1S/C20H17F2N5O/c1-26-11-13(9-25-26)17-10-24-20(27(17)2)19(28)12-6-7-23-16(8-12)18-14(21)4-3-5-15(18)22/h3-11,19,28H,1-2H3
InChIKeyCAJUDAWGBXNWKA-UHFFFAOYSA-N
XLogP3.24
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-difluorophenyl)-4-pyridinyl]-[1-methyl-5-(1-methylpyrazol-4-yl)imidazol-2-yl]methanol?
The IUPAC name of [2-(2,6-difluorophenyl)-4-pyridinyl]-[1-methyl-5-(1-methylpyrazol-4-yl)imidazol-2-yl]methanol (CID 91323180) is [2-(2,6-difluorophenyl)-4-pyridinyl]-[1-methyl-5-(1-methylpyrazol-4-yl)imidazol-2-yl]methanol.
What is the SMILES notation for [2-(2,6-difluorophenyl)-4-pyridinyl]-[1-methyl-5-(1-methylpyrazol-4-yl)imidazol-2-yl]methanol?
The canonical SMILES for [2-(2,6-difluorophenyl)-4-pyridinyl]-[1-methyl-5-(1-methylpyrazol-4-yl)imidazol-2-yl]methanol is Cn1cc(-c2cnc(C(O)c3ccnc(-c4c(F)cccc4F)c3)n2C)cn1.
What is the InChIKey of [2-(2,6-difluorophenyl)-4-pyridinyl]-[1-methyl-5-(1-methylpyrazol-4-yl)imidazol-2-yl]methanol?
The InChIKey is CAJUDAWGBXNWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5O/c1-26-11-13(9-25-26)17-10-24-20(27(17)2)19(28)12-6-7-23-16(8-12)18-14(21)4-3-5-15(18)22/h3-11,19,28H,1-2H3.
What are the key properties of [2-(2,6-difluorophenyl)-4-pyridinyl]-[1-methyl-5-(1-methylpyrazol-4-yl)imidazol-2-yl]methanol?
[2-(2,6-difluorophenyl)-4-pyridinyl]-[1-methyl-5-(1-methylpyrazol-4-yl)imidazol-2-yl]methanol has a molecular weight of 381.39 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-difluorophenyl)-4-pyridinyl]-[1-methyl-5-(1-methylpyrazol-4-yl)imidazol-2-yl]methanol is sourced from PubChem (CID 91323180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).