[4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methanediol

C24H20F5N3O3 — CID 162590841

IUPAC[4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methanediol
SMILESCc1cc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(F)c4F)cn23)ccc1C(O)O
InChIInChI=1S/C24H20F5N3O3/c1-13-9-14(5-6-16(13)23(33)34)19-11-31-22-18(30-8-7-24(27,28)29)10-15(12-32(19)22)35-20-4-2-3-17(25)21(20)26/h2-6,9-12,23,30,33-34H,7-8H2,1H3
InChIKeyGWVZZFBSYOAFHS-UHFFFAOYSA-N
MW493.43 g/mol
LogP5.73
Rot. Bonds7

About [4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methanediol

[4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methanediol (PubChem CID 162590841) has the molecular formula C24H20F5N3O3 and a molecular weight of 493.43 g/mol. Its IUPAC name is [4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methanediol.

Molecular Properties

Compound Name[4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methanediol
PubChem CID162590841
Molecular FormulaC24H20F5N3O3
Molecular Weight493.43 g/mol
Exact Mass493.14
IUPAC Name[4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methanediol
SMILESCc1cc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(F)c4F)cn23)ccc1C(O)O
InChIInChI=1S/C24H20F5N3O3/c1-13-9-14(5-6-16(13)23(33)34)19-11-31-22-18(30-8-7-24(27,28)29)10-15(12-32(19)22)35-20-4-2-3-17(25)21(20)26/h2-6,9-12,23,30,33-34H,7-8H2,1H3
InChIKeyGWVZZFBSYOAFHS-UHFFFAOYSA-N
XLogP5.73
TPSA79.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.43
LogP ≤ 55.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methanediol?
The IUPAC name of [4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methanediol (CID 162590841) is [4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methanediol.
What is the SMILES notation for [4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methanediol?
The canonical SMILES for [4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methanediol is Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(F)c4F)cn23)ccc1C(O)O.
What is the InChIKey of [4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methanediol?
The InChIKey is GWVZZFBSYOAFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F5N3O3/c1-13-9-14(5-6-16(13)23(33)34)19-11-31-22-18(30-8-7-24(27,28)29)10-15(12-32(19)22)35-20-4-2-3-17(25)21(20)26/h2-6,9-12,23,30,33-34H,7-8H2,1H3.
What are the key properties of [4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methanediol?
[4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methanediol has a molecular weight of 493.43 g/mol, XLogP of 5.73, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methanediol is sourced from PubChem (CID 162590841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).