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

C25H24FN7O3 — CID 122589433

IUPAC1-[5-(azetidin-3-ylmethoxy)-3-fluoro-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(OCC2CNC2)cc1F)c(=O)n3C
InChIInChI=1S/C25H24FN7O3/c1-31-12-15(9-30-31)17-5-18-20(6-22(17)35-3)28-11-21-23(18)33(25(34)32(21)2)24-19(26)4-16(10-29-24)36-13-14-7-27-8-14/h4-6,9-12,14,27H,7-8,13H2,1-3H3
InChIKeyMUZTVEIWORNOGT-UHFFFAOYSA-N
MW489.51 g/mol
LogP2.42
Rot. Bonds6

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

1-[5-(azetidin-3-ylmethoxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 122589433) has the molecular formula C25H24FN7O3 and a molecular weight of 489.51 g/mol. Its IUPAC name is 1-[5-(azetidin-3-ylmethoxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-[5-(azetidin-3-ylmethoxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
PubChem CID122589433
Molecular FormulaC25H24FN7O3
Molecular Weight489.51 g/mol
Exact Mass489.19
IUPAC Name1-[5-(azetidin-3-ylmethoxy)-3-fluoro-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(OCC2CNC2)cc1F)c(=O)n3C
InChIInChI=1S/C25H24FN7O3/c1-31-12-15(9-30-31)17-5-18-20(6-22(17)35-3)28-11-21-23(18)33(25(34)32(21)2)24-19(26)4-16(10-29-24)36-13-14-7-27-8-14/h4-6,9-12,14,27H,7-8,13H2,1-3H3
InChIKeyMUZTVEIWORNOGT-UHFFFAOYSA-N
XLogP2.42
TPSA101.02 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.51
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(azetidin-3-ylmethoxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-[5-(azetidin-3-ylmethoxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (CID 122589433) is 1-[5-(azetidin-3-ylmethoxy)-3-fluoro-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-[5-(azetidin-3-ylmethoxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-[5-(azetidin-3-ylmethoxy)-3-fluoro-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(OCC2CNC2)cc1F)c(=O)n3C.
What is the InChIKey of 1-[5-(azetidin-3-ylmethoxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is MUZTVEIWORNOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN7O3/c1-31-12-15(9-30-31)17-5-18-20(6-22(17)35-3)28-11-21-23(18)33(25(34)32(21)2)24-19(26)4-16(10-29-24)36-13-14-7-27-8-14/h4-6,9-12,14,27H,7-8,13H2,1-3H3.
What are the key properties of 1-[5-(azetidin-3-ylmethoxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
1-[5-(azetidin-3-ylmethoxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 489.51 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(azetidin-3-ylmethoxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 122589433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).