1-(3-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazol-5-yl]ethanol

C22H20FN5O2 — CID 67951909

IUPAC1-(3-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazol-5-yl]ethanol
SMILESCn1cc(-c2cnc3c(c2)C(c2cc(C(C)(O)c4cccc(F)c4)on2)CN3)cn1
InChIInChI=1S/C22H20FN5O2/c1-22(29,15-4-3-5-16(23)7-15)20-8-19(27-30-20)18-11-25-21-17(18)6-13(9-24-21)14-10-26-28(2)12-14/h3-10,12,18,29H,11H2,1-2H3,(H,24,25)
InChIKeyCMIZPVICDFOVRQ-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.42
Rot. Bonds4

About 1-(3-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazol-5-yl]ethanol

1-(3-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazol-5-yl]ethanol (PubChem CID 67951909) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazol-5-yl]ethanol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazol-5-yl]ethanol
PubChem CID67951909
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC Name1-(3-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazol-5-yl]ethanol
SMILESCn1cc(-c2cnc3c(c2)C(c2cc(C(C)(O)c4cccc(F)c4)on2)CN3)cn1
InChIInChI=1S/C22H20FN5O2/c1-22(29,15-4-3-5-16(23)7-15)20-8-19(27-30-20)18-11-25-21-17(18)6-13(9-24-21)14-10-26-28(2)12-14/h3-10,12,18,29H,11H2,1-2H3,(H,24,25)
InChIKeyCMIZPVICDFOVRQ-UHFFFAOYSA-N
XLogP3.42
TPSA89.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(3-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazol-5-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazol-5-yl]ethanol?
The IUPAC name of 1-(3-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazol-5-yl]ethanol (CID 67951909) is 1-(3-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazol-5-yl]ethanol.
What is the SMILES notation for 1-(3-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazol-5-yl]ethanol?
The canonical SMILES for 1-(3-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazol-5-yl]ethanol is Cn1cc(-c2cnc3c(c2)C(c2cc(C(C)(O)c4cccc(F)c4)on2)CN3)cn1.
What is the InChIKey of 1-(3-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazol-5-yl]ethanol?
The InChIKey is CMIZPVICDFOVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c1-22(29,15-4-3-5-16(23)7-15)20-8-19(27-30-20)18-11-25-21-17(18)6-13(9-24-21)14-10-26-28(2)12-14/h3-10,12,18,29H,11H2,1-2H3,(H,24,25).
What are the key properties of 1-(3-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazol-5-yl]ethanol?
1-(3-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazol-5-yl]ethanol has a molecular weight of 405.43 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazol-5-yl]ethanol is sourced from PubChem (CID 67951909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).