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

C23H20FN5O2 — CID 135981849

IUPAC(1R)-1-(2-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazol-5-yl]propan-1-ol
SMILESCC[C@](O)(c1cc(-c2c[nH]c3ncc(-c4cnn(C)c4)cc23)no1)c1ccccc1F
InChIInChI=1S/C23H20FN5O2/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/h4-13,30H,3H2,1-2H3,(H,25,26)/t23-/m1/s1
InChIKeyJNITWJMZIUWSAX-HSZRJFAPSA-N
MW417.44 g/mol
LogP4.40
Rot. Bonds5

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

(1R)-1-(2-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazol-5-yl]propan-1-ol (PubChem CID 135981849) has the molecular formula C23H20FN5O2 and a molecular weight of 417.44 g/mol. Its IUPAC name is (1R)-1-(2-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-(2-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazol-5-yl]propan-1-ol
PubChem CID135981849
Molecular FormulaC23H20FN5O2
Molecular Weight417.44 g/mol
Exact Mass417.16
IUPAC Name(1R)-1-(2-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazol-5-yl]propan-1-ol
SMILESCC[C@](O)(c1cc(-c2c[nH]c3ncc(-c4cnn(C)c4)cc23)no1)c1ccccc1F
InChIInChI=1S/C23H20FN5O2/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/h4-13,30H,3H2,1-2H3,(H,25,26)/t23-/m1/s1
InChIKeyJNITWJMZIUWSAX-HSZRJFAPSA-N
XLogP4.40
TPSA92.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1R)-1-(2-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-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 (1R)-1-(2-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazol-5-yl]propan-1-ol?
The IUPAC name of (1R)-1-(2-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazol-5-yl]propan-1-ol (CID 135981849) is (1R)-1-(2-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazol-5-yl]propan-1-ol.
What is the SMILES notation for (1R)-1-(2-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazol-5-yl]propan-1-ol?
The canonical SMILES for (1R)-1-(2-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazol-5-yl]propan-1-ol is CC[C@](O)(c1cc(-c2c[nH]c3ncc(-c4cnn(C)c4)cc23)no1)c1ccccc1F.
What is the InChIKey of (1R)-1-(2-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazol-5-yl]propan-1-ol?
The InChIKey is JNITWJMZIUWSAX-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H20FN5O2/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/h4-13,30H,3H2,1-2H3,(H,25,26)/t23-/m1/s1.
What are the key properties of (1R)-1-(2-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazol-5-yl]propan-1-ol?
(1R)-1-(2-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazol-5-yl]propan-1-ol has a molecular weight of 417.44 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazol-5-yl]propan-1-ol is sourced from PubChem (CID 135981849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).