7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one

C26H24F2N4O4 — CID 136505991

IUPAC7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESCOCc1cc2c(cc1C(=O)N1Cc3c(F)ccc(F)c3C1)[nH]c(=O)c1cnn(C3CCOCC3)c12
InChIInChI=1S/C26H24F2N4O4/c1-35-13-14-8-17-23(30-25(33)18-10-29-32(24(17)18)15-4-6-36-7-5-15)9-16(14)26(34)31-11-19-20(12-31)22(28)3-2-21(19)27/h2-3,8-10,15H,4-7,11-13H2,1H3,(H,30,33)
InChIKeyRGDJKMBBAMFOAK-UHFFFAOYSA-N
MW494.50 g/mol
LogP3.81
Rot. Bonds4

About 7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one

7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one (PubChem CID 136505991) has the molecular formula C26H24F2N4O4 and a molecular weight of 494.50 g/mol. Its IUPAC name is 7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
PubChem CID136505991
Molecular FormulaC26H24F2N4O4
Molecular Weight494.50 g/mol
Exact Mass494.18
IUPAC Name7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESCOCc1cc2c(cc1C(=O)N1Cc3c(F)ccc(F)c3C1)[nH]c(=O)c1cnn(C3CCOCC3)c12
InChIInChI=1S/C26H24F2N4O4/c1-35-13-14-8-17-23(30-25(33)18-10-29-32(24(17)18)15-4-6-36-7-5-15)9-16(14)26(34)31-11-19-20(12-31)22(28)3-2-21(19)27/h2-3,8-10,15H,4-7,11-13H2,1H3,(H,30,33)
InChIKeyRGDJKMBBAMFOAK-UHFFFAOYSA-N
XLogP3.81
TPSA89.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.50
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[4-(3-morpholin-4-ylpropoxymethyl)phenyl]indazole-4-carboxamide
CID 138404055
1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[4-(2-morpholin-4-ylethoxymethyl)phenyl]indazole-4-carboxamide
CID 138404057
5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-7-(3,6-dihydro-2H-pyran-4-yl)-N,1-dimethylindole-3-carboxamide
CID 132169172
7-methyl-1-(oxan-4-yl)-8-(4-propoxypiperidine-1-carbonyl)-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136152645
8-[4-[(2S)-2-fluoropropoxy]piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136152649
7-methyl-1-(oxan-4-yl)-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-5H-pyrazolo[4,3-c]quinolin-4-one
CID 136152650
8-(4-ethoxypiperidine-1-carbonyl)-7-methyl-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136152658
8-[4-(ethoxymethyl)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136152660
8-[4-(ethoxymethyl)piperidine-1-carbonyl]-7-methyl-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136152662
8-[4-[(2R)-2-fluoropropoxy]piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136152668
8-[4-[(2S)-2-fluoropropoxy]piperidine-1-carbonyl]-7-methyl-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136152669
7-methyl-1-[(3S)-oxolan-3-yl]-8-[4-(4,4,4-trifluorobutyl)piperazine-1-carbonyl]-5H-pyrazolo[4,3-c]quinolin-4-one
CID 136152671

Frequently Asked Questions

What is the IUPAC name of 7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one (CID 136505991) is 7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one is COCc1cc2c(cc1C(=O)N1Cc3c(F)ccc(F)c3C1)[nH]c(=O)c1cnn(C3CCOCC3)c12.
What is the InChIKey of 7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one?
The InChIKey is RGDJKMBBAMFOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N4O4/c1-35-13-14-8-17-23(30-25(33)18-10-29-32(24(17)18)15-4-6-36-7-5-15)9-16(14)26(34)31-11-19-20(12-31)22(28)3-2-21(19)27/h2-3,8-10,15H,4-7,11-13H2,1H3,(H,30,33).
What are the key properties of 7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one?
7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 494.50 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 136505991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).