1-[3-fluoro-5-[(1-methylazetidin-3-yl)methoxy]-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one

C26H26FN7O3 — CID 134325518

IUPAC1-[3-fluoro-5-[(1-methylazetidin-3-yl)methoxy]-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1ncc(OCC2CN(C)C2)cc1F)c(=O)n3C
InChIInChI=1S/C26H26FN7O3/c1-31-11-15(12-31)14-37-17-5-20(27)25(29-9-17)34-24-19-6-18(16-8-30-32(2)13-16)23(36-4)7-21(19)28-10-22(24)33(3)26(34)35/h5-10,13,15H,11-12,14H2,1-4H3
InChIKeyDDJXUUMBXHFJHX-UHFFFAOYSA-N
MW503.54 g/mol
LogP2.76
Rot. Bonds6

About 1-[3-fluoro-5-[(1-methylazetidin-3-yl)methoxy]-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one

1-[3-fluoro-5-[(1-methylazetidin-3-yl)methoxy]-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 134325518) has the molecular formula C26H26FN7O3 and a molecular weight of 503.54 g/mol. Its IUPAC name is 1-[3-fluoro-5-[(1-methylazetidin-3-yl)methoxy]-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-[3-fluoro-5-[(1-methylazetidin-3-yl)methoxy]-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
PubChem CID134325518
Molecular FormulaC26H26FN7O3
Molecular Weight503.54 g/mol
Exact Mass503.21
IUPAC Name1-[3-fluoro-5-[(1-methylazetidin-3-yl)methoxy]-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1ncc(OCC2CN(C)C2)cc1F)c(=O)n3C
InChIInChI=1S/C26H26FN7O3/c1-31-11-15(12-31)14-37-17-5-20(27)25(29-9-17)34-24-19-6-18(16-8-30-32(2)13-16)23(36-4)7-21(19)28-10-22(24)33(3)26(34)35/h5-10,13,15H,11-12,14H2,1-4H3
InChIKeyDDJXUUMBXHFJHX-UHFFFAOYSA-N
XLogP2.76
TPSA92.23 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.54
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-[3-fluoro-5-[(1-methylazetidin-3-yl)methoxy]-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one with MolForge

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Related Compounds

M-4076
CID 122599280
DNA-PK-IN-11
CID 56847587
1-[3-[7-methoxy-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373072
3-Fluoro-4-[7-methoxy-3-methyl-8-(2-methylpyrazol-3-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile
CID 56847640
US10457677, Example 114
CID 122589327
US10457677, Example 129
CID 122589331
US10457677, Example 33
CID 122589364
US10457677, Example 145
CID 122589371
US10457677, Example 119
CID 122589374
US10457677, Example 36
CID 122589382
US10457677, Example 146
CID 122589392
US10457677, Example 140
CID 122589399

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-[(1-methylazetidin-3-yl)methoxy]-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-[3-fluoro-5-[(1-methylazetidin-3-yl)methoxy]-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (CID 134325518) is 1-[3-fluoro-5-[(1-methylazetidin-3-yl)methoxy]-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-[3-fluoro-5-[(1-methylazetidin-3-yl)methoxy]-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-[3-fluoro-5-[(1-methylazetidin-3-yl)methoxy]-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is COc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1ncc(OCC2CN(C)C2)cc1F)c(=O)n3C.
What is the InChIKey of 1-[3-fluoro-5-[(1-methylazetidin-3-yl)methoxy]-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is DDJXUUMBXHFJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN7O3/c1-31-11-15(12-31)14-37-17-5-20(27)25(29-9-17)34-24-19-6-18(16-8-30-32(2)13-16)23(36-4)7-21(19)28-10-22(24)33(3)26(34)35/h5-10,13,15H,11-12,14H2,1-4H3.
What are the key properties of 1-[3-fluoro-5-[(1-methylazetidin-3-yl)methoxy]-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
1-[3-fluoro-5-[(1-methylazetidin-3-yl)methoxy]-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 503.54 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-[(1-methylazetidin-3-yl)methoxy]-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 134325518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).