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

C27H23F2N3O3 — CID 146930452

IUPAC4-[2-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc(OCc2c(F)cccc2F)n2nc(C)c(C(=O)CC3CC(=O)Nc4ccccc43)c2c1
InChIInChI=1S/C27H23F2N3O3/c1-15-10-23-27(24(33)12-17-13-25(34)30-22-9-4-3-6-18(17)22)16(2)31-32(23)26(11-15)35-14-19-20(28)7-5-8-21(19)29/h3-11,17H,12-14H2,1-2H3,(H,30,34)
InChIKeyAEXHATFHMBDFIQ-UHFFFAOYSA-N
MW475.50 g/mol
LogP5.51
Rot. Bonds6

About 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

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 (PubChem CID 146930452) has the molecular formula C27H23F2N3O3 and a molecular weight of 475.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[2-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID146930452
Molecular FormulaC27H23F2N3O3
Molecular Weight475.50 g/mol
Exact Mass475.17
IUPAC Name4-[2-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc(OCc2c(F)cccc2F)n2nc(C)c(C(=O)CC3CC(=O)Nc4ccccc43)c2c1
InChIInChI=1S/C27H23F2N3O3/c1-15-10-23-27(24(33)12-17-13-25(34)30-22-9-4-3-6-18(17)22)16(2)31-32(23)26(11-15)35-14-19-20(28)7-5-8-21(19)29/h3-11,17H,12-14H2,1-2H3,(H,30,34)
InChIKeyAEXHATFHMBDFIQ-UHFFFAOYSA-N
XLogP5.51
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.50
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(OCc2c(F)cccc2F)n2nc(C)c(C(=O)CC3CC(=O)Nc4ccccc43)c2c1.
What is the InChIKey of 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?
The InChIKey is AEXHATFHMBDFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F2N3O3/c1-15-10-23-27(24(33)12-17-13-25(34)30-22-9-4-3-6-18(17)22)16(2)31-32(23)26(11-15)35-14-19-20(28)7-5-8-21(19)29/h3-11,17H,12-14H2,1-2H3,(H,30,34).
What are the key properties of 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?
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 has a molecular weight of 475.50 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146930452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).