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

C28H27F2N3O2 — CID 147664055

IUPAC1-[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
SMILESCc1cc(OCc2c(F)cccc2F)n2nc(C)c(C(=O)CC3CCN(C)c4ccccc43)c2c1
InChIInChI=1S/C28H27F2N3O2/c1-17-13-25-28(26(34)15-19-11-12-32(3)24-10-5-4-7-20(19)24)18(2)31-33(25)27(14-17)35-16-21-22(29)8-6-9-23(21)30/h4-10,13-14,19H,11-12,15-16H2,1-3H3
InChIKeyGLYAMCSMCONQLA-UHFFFAOYSA-N
MW475.54 g/mol
LogP6.00
Rot. Bonds6

About 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

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 (PubChem CID 147664055) has the molecular formula C28H27F2N3O2 and a molecular weight of 475.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID147664055
Molecular FormulaC28H27F2N3O2
Molecular Weight475.54 g/mol
Exact Mass475.21
IUPAC Name1-[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
SMILESCc1cc(OCc2c(F)cccc2F)n2nc(C)c(C(=O)CC3CCN(C)c4ccccc43)c2c1
InChIInChI=1S/C28H27F2N3O2/c1-17-13-25-28(26(34)15-19-11-12-32(3)24-10-5-4-7-20(19)24)18(2)31-33(25)27(14-17)35-16-21-22(29)8-6-9-23(21)30/h4-10,13-14,19H,11-12,15-16H2,1-3H3
InChIKeyGLYAMCSMCONQLA-UHFFFAOYSA-N
XLogP6.00
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.54
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(OCc2c(F)cccc2F)n2nc(C)c(C(=O)CC3CCN(C)c4ccccc43)c2c1.
What is the InChIKey of 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?
The InChIKey is GLYAMCSMCONQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F2N3O2/c1-17-13-25-28(26(34)15-19-11-12-32(3)24-10-5-4-7-20(19)24)18(2)31-33(25)27(14-17)35-16-21-22(29)8-6-9-23(21)30/h4-10,13-14,19H,11-12,15-16H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 475.54 g/mol, XLogP of 6.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 147664055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).