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]propan-1-ol

C23H22FN5O2 — CID 67951947

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]propan-1-ol
SMILESCCC(O)(c1cccc(F)c1)c1cc(C2CNc3ncc(-c4cnn(C)c4)cc32)no1
InChIInChI=1S/C23H22FN5O2/c1-3-23(30,16-5-4-6-17(24)8-16)21-9-20(28-31-21)19-12-26-22-18(19)7-14(10-25-22)15-11-27-29(2)13-15/h4-11,13,19,30H,3,12H2,1-2H3,(H,25,26)
InChIKeyJQDDIZFPISCYDS-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.81
Rot. Bonds5

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]propan-1-ol

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]propan-1-ol (PubChem CID 67951947) has the molecular formula C23H22FN5O2 and a molecular weight of 419.46 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]propan-1-ol.

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]propan-1-ol
PubChem CID67951947
Molecular FormulaC23H22FN5O2
Molecular Weight419.46 g/mol
Exact Mass419.18
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]propan-1-ol
SMILESCCC(O)(c1cccc(F)c1)c1cc(C2CNc3ncc(-c4cnn(C)c4)cc32)no1
InChIInChI=1S/C23H22FN5O2/c1-3-23(30,16-5-4-6-17(24)8-16)21-9-20(28-31-21)19-12-26-22-18(19)7-14(10-25-22)15-11-27-29(2)13-15/h4-11,13,19,30H,3,12H2,1-2H3,(H,25,26)
InChIKeyJQDDIZFPISCYDS-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-(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]propan-1-ol with MolForge

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Related Compounds

US11472802, Example 69
CID 139331381
US11472802, Example 70
CID 139341979
(1S)-1-(4-fluorophenyl)-1-[2-[4-[6-(5-methyl-1,2-oxazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 118032884
(1R)-1-(4-fluorophenyl)-1-[2-[4-[6-(5-methyl-1,2-oxazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 118032887
US11472802, Example 73
CID 139331348
US10294229, Example 426
CID 135185299
US11472802, Example 18
CID 139341933
3-[3-[[4-(Pyrazol-1-ylmethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 138682567
1-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-(1-methylpyrazol-3-yl)pyrrolo[3,2-c]pyridin-4-amine
CID 134809221
US11472802, Example 40
CID 139331293
US11472802, Example 78
CID 139331328
US11472802, Example 1
CID 139331365

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]propan-1-ol?
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]propan-1-ol (CID 67951947) 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]propan-1-ol.
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]propan-1-ol?
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]propan-1-ol is CCC(O)(c1cccc(F)c1)c1cc(C2CNc3ncc(-c4cnn(C)c4)cc32)no1.
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]propan-1-ol?
The InChIKey is JQDDIZFPISCYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2/c1-3-23(30,16-5-4-6-17(24)8-16)21-9-20(28-31-21)19-12-26-22-18(19)7-14(10-25-22)15-11-27-29(2)13-15/h4-11,13,19,30H,3,12H2,1-2H3,(H,25,26).
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]propan-1-ol?
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]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-(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]propan-1-ol is sourced from PubChem (CID 67951947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).