7-[(2-fluoro-6-iodophenyl)methoxy]-2,5-dimethyl-3-(3-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyridine

C26H25FIN3O — CID 121386397

IUPAC7-[(2-fluoro-6-iodophenyl)methoxy]-2,5-dimethyl-3-(3-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyridine
SMILESCc1cc(OCc2c(F)cccc2I)n2nc(C)c(-c3cccc(N4CCCC4)c3)c2c1
InChIInChI=1S/C26H25FIN3O/c1-17-13-24-26(19-7-5-8-20(15-19)30-11-3-4-12-30)18(2)29-31(24)25(14-17)32-16-21-22(27)9-6-10-23(21)28/h5-10,13-15H,3-4,11-12,16H2,1-2H3
InChIKeyWCPBIZOFXFXCEU-UHFFFAOYSA-N
MW541.41 g/mol
LogP6.54
Rot. Bonds5

About 7-[(2-fluoro-6-iodophenyl)methoxy]-2,5-dimethyl-3-(3-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyridine

7-[(2-fluoro-6-iodophenyl)methoxy]-2,5-dimethyl-3-(3-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyridine (PubChem CID 121386397) has the molecular formula C26H25FIN3O and a molecular weight of 541.41 g/mol. Its IUPAC name is 7-[(2-fluoro-6-iodophenyl)methoxy]-2,5-dimethyl-3-(3-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-[(2-fluoro-6-iodophenyl)methoxy]-2,5-dimethyl-3-(3-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyridine
PubChem CID121386397
Molecular FormulaC26H25FIN3O
Molecular Weight541.41 g/mol
Exact Mass541.10
IUPAC Name7-[(2-fluoro-6-iodophenyl)methoxy]-2,5-dimethyl-3-(3-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyridine
SMILESCc1cc(OCc2c(F)cccc2I)n2nc(C)c(-c3cccc(N4CCCC4)c3)c2c1
InChIInChI=1S/C26H25FIN3O/c1-17-13-24-26(19-7-5-8-20(15-19)30-11-3-4-12-30)18(2)29-31(24)25(14-17)32-16-21-22(27)9-6-10-23(21)28/h5-10,13-15H,3-4,11-12,16H2,1-2H3
InChIKeyWCPBIZOFXFXCEU-UHFFFAOYSA-N
XLogP6.54
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.41
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxylic acid
CID 121386396
2-cyclopropyl-7-[(2,6-difluorophenyl)methoxy]-5-methyl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine
CID 121379349
4-amino-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-methylpentan-1-one
CID 158471196
1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-2-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)ethanone
CID 147664055
7-[(2,6-difluorophenyl)methoxy]-2,5-dimethyl-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrazolo[1,5-a]pyridine-3-carbohydrazide;2,2,2-trifluoroacetic acid
CID 130234406
(2S)-6-[[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carbonyl]amino]-2-(methylamino)hexanoic acid
CID 130234400
(3R)-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-hydroxy-3-(5-methylfuran-2-yl)butan-1-one
CID 147844433
N-[(3aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-4-yl]-7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 130255987
3-[[[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]-2-methyladamantane-1-carboxylic acid
CID 130234419
methyl 3-[[[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]adamantane-1-carboxylate
CID 121434541
(3S)-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-hydroxy-3-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)butan-1-one
CID 160561732
7-[(2,6-difluorophenyl)methoxy]-2,5-dimethyl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 130234397

Frequently Asked Questions

What is the IUPAC name of 7-[(2-fluoro-6-iodophenyl)methoxy]-2,5-dimethyl-3-(3-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 7-[(2-fluoro-6-iodophenyl)methoxy]-2,5-dimethyl-3-(3-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyridine (CID 121386397) is 7-[(2-fluoro-6-iodophenyl)methoxy]-2,5-dimethyl-3-(3-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 7-[(2-fluoro-6-iodophenyl)methoxy]-2,5-dimethyl-3-(3-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 7-[(2-fluoro-6-iodophenyl)methoxy]-2,5-dimethyl-3-(3-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyridine is Cc1cc(OCc2c(F)cccc2I)n2nc(C)c(-c3cccc(N4CCCC4)c3)c2c1.
What is the InChIKey of 7-[(2-fluoro-6-iodophenyl)methoxy]-2,5-dimethyl-3-(3-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyridine?
The InChIKey is WCPBIZOFXFXCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FIN3O/c1-17-13-24-26(19-7-5-8-20(15-19)30-11-3-4-12-30)18(2)29-31(24)25(14-17)32-16-21-22(27)9-6-10-23(21)28/h5-10,13-15H,3-4,11-12,16H2,1-2H3.
What are the key properties of 7-[(2-fluoro-6-iodophenyl)methoxy]-2,5-dimethyl-3-(3-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyridine?
7-[(2-fluoro-6-iodophenyl)methoxy]-2,5-dimethyl-3-(3-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyridine has a molecular weight of 541.41 g/mol, XLogP of 6.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-fluoro-6-iodophenyl)methoxy]-2,5-dimethyl-3-(3-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 121386397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).