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

C23H22FN5O2 — CID 67952090

IUPAC1-(2-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazol-5-yl]propan-1-ol
SMILESCCC(O)(c1cc(C2CNc3ncc(-c4cnn(C)c4)cc32)no1)c1ccccc1F
InChIInChI=1S/C23H22FN5O2/c1-3-23(30,18-6-4-5-7-19(18)24)21-9-20(28-31-21)17-12-26-22-16(17)8-14(10-25-22)15-11-27-29(2)13-15/h4-11,13,17,30H,3,12H2,1-2H3,(H,25,26)
InChIKeyNVVZSZHKAFYRIW-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.81
Rot. Bonds5

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

1-(2-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazol-5-yl]propan-1-ol (PubChem CID 67952090) has the molecular formula C23H22FN5O2 and a molecular weight of 419.46 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazol-5-yl]propan-1-ol
PubChem CID67952090
Molecular FormulaC23H22FN5O2
Molecular Weight419.46 g/mol
Exact Mass419.18
IUPAC Name1-(2-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazol-5-yl]propan-1-ol
SMILESCCC(O)(c1cc(C2CNc3ncc(-c4cnn(C)c4)cc32)no1)c1ccccc1F
InChIInChI=1S/C23H22FN5O2/c1-3-23(30,18-6-4-5-7-19(18)24)21-9-20(28-31-21)17-12-26-22-16(17)8-14(10-25-22)15-11-27-29(2)13-15/h4-11,13,17,30H,3,12H2,1-2H3,(H,25,26)
InChIKeyNVVZSZHKAFYRIW-UHFFFAOYSA-N
XLogP3.81
TPSA89.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(2-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazol-5-yl]propan-1-ol 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-(2-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazol-5-yl]propan-1-ol?
The IUPAC name of 1-(2-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazol-5-yl]propan-1-ol (CID 67952090) is 1-(2-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazol-5-yl]propan-1-ol.
What is the SMILES notation for 1-(2-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazol-5-yl]propan-1-ol?
The canonical SMILES for 1-(2-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazol-5-yl]propan-1-ol is CCC(O)(c1cc(C2CNc3ncc(-c4cnn(C)c4)cc32)no1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazol-5-yl]propan-1-ol?
The InChIKey is NVVZSZHKAFYRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2/c1-3-23(30,18-6-4-5-7-19(18)24)21-9-20(28-31-21)17-12-26-22-16(17)8-14(10-25-22)15-11-27-29(2)13-15/h4-11,13,17,30H,3,12H2,1-2H3,(H,25,26).
What are the key properties of 1-(2-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazol-5-yl]propan-1-ol?
1-(2-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazol-5-yl]propan-1-ol has a molecular weight of 419.46 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazol-5-yl]propan-1-ol is sourced from PubChem (CID 67952090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).