[(7S)-3-(2,3-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone

C24H20F2N4O — CID 146457733

IUPAC[(7S)-3-(2,3-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone
SMILESC[C@H]1c2nn(C)c(-c3cccc(F)c3F)c2CCN1C(=O)c1ccc2ncccc2c1
InChIInChI=1S/C24H20F2N4O/c1-14-22-18(23(29(2)28-22)17-6-3-7-19(25)21(17)26)10-12-30(14)24(31)16-8-9-20-15(13-16)5-4-11-27-20/h3-9,11,13-14H,10,12H2,1-2H3/t14-/m0/s1
InChIKeyACVJDHITWBLYEM-AWEZNQCLSA-N
MW418.45 g/mol
LogP4.67
Rot. Bonds2

About [(7S)-3-(2,3-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone

[(7S)-3-(2,3-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone (PubChem CID 146457733) has the molecular formula C24H20F2N4O and a molecular weight of 418.45 g/mol. Its IUPAC name is [(7S)-3-(2,3-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone.

Molecular Properties

Compound Name[(7S)-3-(2,3-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone
PubChem CID146457733
Molecular FormulaC24H20F2N4O
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC Name[(7S)-3-(2,3-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone
SMILESC[C@H]1c2nn(C)c(-c3cccc(F)c3F)c2CCN1C(=O)c1ccc2ncccc2c1
InChIInChI=1S/C24H20F2N4O/c1-14-22-18(23(29(2)28-22)17-6-3-7-19(25)21(17)26)10-12-30(14)24(31)16-8-9-20-15(13-16)5-4-11-27-20/h3-9,11,13-14H,10,12H2,1-2H3/t14-/m0/s1
InChIKeyACVJDHITWBLYEM-AWEZNQCLSA-N
XLogP4.67
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(7S)-3-(2,3-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone?
The IUPAC name of [(7S)-3-(2,3-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone (CID 146457733) is [(7S)-3-(2,3-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone.
What is the SMILES notation for [(7S)-3-(2,3-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone?
The canonical SMILES for [(7S)-3-(2,3-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone is C[C@H]1c2nn(C)c(-c3cccc(F)c3F)c2CCN1C(=O)c1ccc2ncccc2c1.
What is the InChIKey of [(7S)-3-(2,3-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone?
The InChIKey is ACVJDHITWBLYEM-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H20F2N4O/c1-14-22-18(23(29(2)28-22)17-6-3-7-19(25)21(17)26)10-12-30(14)24(31)16-8-9-20-15(13-16)5-4-11-27-20/h3-9,11,13-14H,10,12H2,1-2H3/t14-/m0/s1.
What are the key properties of [(7S)-3-(2,3-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone?
[(7S)-3-(2,3-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone has a molecular weight of 418.45 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(7S)-3-(2,3-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone is sourced from PubChem (CID 146457733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).