4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1-[2-(oxetan-3-yl)propyl]pyrrolo[2,3-b]pyridine

C22H22FN5O — CID 175920695

IUPAC4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1-[2-(oxetan-3-yl)propyl]pyrrolo[2,3-b]pyridine
SMILESCC(Cn1ccc2c(-c3cn(C)nc3-c3ccc(F)cn3)ccnc21)C1COC1
InChIInChI=1S/C22H22FN5O/c1-14(15-12-29-13-15)10-28-8-6-18-17(5-7-24-22(18)28)19-11-27(2)26-21(19)20-4-3-16(23)9-25-20/h3-9,11,14-15H,10,12-13H2,1-2H3
InChIKeyYLZOMSAFAFEJOQ-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.92
Rot. Bonds5

About 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1-[2-(oxetan-3-yl)propyl]pyrrolo[2,3-b]pyridine

4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1-[2-(oxetan-3-yl)propyl]pyrrolo[2,3-b]pyridine (PubChem CID 175920695) has the molecular formula C22H22FN5O and a molecular weight of 391.45 g/mol. Its IUPAC name is 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1-[2-(oxetan-3-yl)propyl]pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1-[2-(oxetan-3-yl)propyl]pyrrolo[2,3-b]pyridine
PubChem CID175920695
Molecular FormulaC22H22FN5O
Molecular Weight391.45 g/mol
Exact Mass391.18
IUPAC Name4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1-[2-(oxetan-3-yl)propyl]pyrrolo[2,3-b]pyridine
SMILESCC(Cn1ccc2c(-c3cn(C)nc3-c3ccc(F)cn3)ccnc21)C1COC1
InChIInChI=1S/C22H22FN5O/c1-14(15-12-29-13-15)10-28-8-6-18-17(5-7-24-22(18)28)19-11-27(2)26-21(19)20-4-3-16(23)9-25-20/h3-9,11,14-15H,10,12-13H2,1-2H3
InChIKeyYLZOMSAFAFEJOQ-UHFFFAOYSA-N
XLogP3.92
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

3-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]oxetan-3-ol
CID 162760935
3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-amine
CID 83216674
5-fluoro-2-[1-methyl-4-(5-methyl-1H-pyrrol-3-yl)pyrazol-3-yl]pyridine
CID 175460069
4-[1-methyl-3-[5-(trifluoromethoxy)-2-pyridinyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 162760917
2-[[4-[3-(5-chloro-2-pyridinyl)-1-methylpyrazol-4-yl]pyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 162761018
N-[[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]methyl]propan-1-amine
CID 83128228
4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-1-(3-methoxy-2-methylpropyl)pyrrolo[2,3-b]pyridine
CID 175980284
4-[3-[5-(difluoromethyl)-2-pyridinyl]-1-methylpyrazol-4-yl]-1H-pyrazolo[3,4-b]pyridine
CID 162760858
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 57380104
4-[3-benzyl-5-(5-fluoro-2-pyridinyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 139552918
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,4-b]pyridin-5-ol
CID 137161462
2-[4-bromo-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-5-fluoropyridine
CID 175920701

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1-[2-(oxetan-3-yl)propyl]pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1-[2-(oxetan-3-yl)propyl]pyrrolo[2,3-b]pyridine (CID 175920695) is 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1-[2-(oxetan-3-yl)propyl]pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1-[2-(oxetan-3-yl)propyl]pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1-[2-(oxetan-3-yl)propyl]pyrrolo[2,3-b]pyridine is CC(Cn1ccc2c(-c3cn(C)nc3-c3ccc(F)cn3)ccnc21)C1COC1.
What is the InChIKey of 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1-[2-(oxetan-3-yl)propyl]pyrrolo[2,3-b]pyridine?
The InChIKey is YLZOMSAFAFEJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O/c1-14(15-12-29-13-15)10-28-8-6-18-17(5-7-24-22(18)28)19-11-27(2)26-21(19)20-4-3-16(23)9-25-20/h3-9,11,14-15H,10,12-13H2,1-2H3.
What are the key properties of 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1-[2-(oxetan-3-yl)propyl]pyrrolo[2,3-b]pyridine?
4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1-[2-(oxetan-3-yl)propyl]pyrrolo[2,3-b]pyridine has a molecular weight of 391.45 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1-[2-(oxetan-3-yl)propyl]pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 175920695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).