4-amino-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-methylpentan-1-one

C22H25F2N3O2 — CID 158471196

IUPAC4-amino-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-methylpentan-1-one
SMILESCc1cc(OCc2c(F)cccc2F)n2nc(C)c(C(=O)CCC(C)(C)N)c2c1
InChIInChI=1S/C22H25F2N3O2/c1-13-10-18-21(19(28)8-9-22(3,4)25)14(2)26-27(18)20(11-13)29-12-15-16(23)6-5-7-17(15)24/h5-7,10-11H,8-9,12,25H2,1-4H3
InChIKeyHGJGKTCNKPSEBI-UHFFFAOYSA-N
MW401.46 g/mol
LogP4.51
Rot. Bonds7

About 4-amino-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-methylpentan-1-one

4-amino-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-methylpentan-1-one (PubChem CID 158471196) has the molecular formula C22H25F2N3O2 and a molecular weight of 401.46 g/mol. Its IUPAC name is 4-amino-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-methylpentan-1-one.

Molecular Properties

Compound Name4-amino-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-methylpentan-1-one
PubChem CID158471196
Molecular FormulaC22H25F2N3O2
Molecular Weight401.46 g/mol
Exact Mass401.19
IUPAC Name4-amino-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-methylpentan-1-one
SMILESCc1cc(OCc2c(F)cccc2F)n2nc(C)c(C(=O)CCC(C)(C)N)c2c1
InChIInChI=1S/C22H25F2N3O2/c1-13-10-18-21(19(28)8-9-22(3,4)25)14(2)26-27(18)20(11-13)29-12-15-16(23)6-5-7-17(15)24/h5-7,10-11H,8-9,12,25H2,1-4H3
InChIKeyHGJGKTCNKPSEBI-UHFFFAOYSA-N
XLogP4.51
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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-dimethylpyrazolo[1,5-a]pyridine-3-carboximidamide
CID 121379409
(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
5-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxylic acid
CID 121386396
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
4-[2-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]-3,4-dihydro-1H-quinolin-2-one
CID 146930452
tert-butyl 6-[7-[(3-fluoro-2-pyridinyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-3-methyl-6-oxo-3-propylhexanoate
CID 160903309
(2S)-6-[[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carbonyl]amino]-2-(methylamino)hexanoic acid
CID 130234400
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
methyl 3-[1-[[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carbonyl]amino]propan-2-yl]benzoate
CID 121445049
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
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 4-amino-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-methylpentan-1-one?
The IUPAC name of 4-amino-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-methylpentan-1-one (CID 158471196) is 4-amino-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-methylpentan-1-one.
What is the SMILES notation for 4-amino-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-methylpentan-1-one?
The canonical SMILES for 4-amino-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-methylpentan-1-one is Cc1cc(OCc2c(F)cccc2F)n2nc(C)c(C(=O)CCC(C)(C)N)c2c1.
What is the InChIKey of 4-amino-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-methylpentan-1-one?
The InChIKey is HGJGKTCNKPSEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O2/c1-13-10-18-21(19(28)8-9-22(3,4)25)14(2)26-27(18)20(11-13)29-12-15-16(23)6-5-7-17(15)24/h5-7,10-11H,8-9,12,25H2,1-4H3.
What are the key properties of 4-amino-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-methylpentan-1-one?
4-amino-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-methylpentan-1-one has a molecular weight of 401.46 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-methylpentan-1-one is sourced from PubChem (CID 158471196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).