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

C24H22FN7O3 — CID 134325548

IUPAC1-[5-(azetidin-3-yloxy)-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(OC2CNC2)cc1F)c(=O)n3C
InChIInChI=1S/C24H22FN7O3/c1-30-12-13(7-29-30)16-5-17-19(6-21(16)34-3)27-11-20-22(17)32(24(33)31(20)2)23-18(25)4-14(10-28-23)35-15-8-26-9-15/h4-7,10-12,15,26H,8-9H2,1-3H3
InChIKeyIAAVMZZPXPQLBQ-UHFFFAOYSA-N
MW475.48 g/mol
LogP2.17
Rot. Bonds5

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

1-[5-(azetidin-3-yloxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 134325548) has the molecular formula C24H22FN7O3 and a molecular weight of 475.48 g/mol. Its IUPAC name is 1-[5-(azetidin-3-yloxy)-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-yloxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
PubChem CID134325548
Molecular FormulaC24H22FN7O3
Molecular Weight475.48 g/mol
Exact Mass475.18
IUPAC Name1-[5-(azetidin-3-yloxy)-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(OC2CNC2)cc1F)c(=O)n3C
InChIInChI=1S/C24H22FN7O3/c1-30-12-13(7-29-30)16-5-17-19(6-21(16)34-3)27-11-20-22(17)32(24(33)31(20)2)23-18(25)4-14(10-28-23)35-15-8-26-9-15/h4-7,10-12,15,26H,8-9H2,1-3H3
InChIKeyIAAVMZZPXPQLBQ-UHFFFAOYSA-N
XLogP2.17
TPSA101.02 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.48
LogP ≤ 52.17
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-yloxy)-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-yloxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (CID 134325548) is 1-[5-(azetidin-3-yloxy)-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-yloxy)-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-yloxy)-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(OC2CNC2)cc1F)c(=O)n3C.
What is the InChIKey of 1-[5-(azetidin-3-yloxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is IAAVMZZPXPQLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN7O3/c1-30-12-13(7-29-30)16-5-17-19(6-21(16)34-3)27-11-20-22(17)32(24(33)31(20)2)23-18(25)4-14(10-28-23)35-15-8-26-9-15/h4-7,10-12,15,26H,8-9H2,1-3H3.
What are the key properties of 1-[5-(azetidin-3-yloxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
1-[5-(azetidin-3-yloxy)-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 475.48 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(azetidin-3-yloxy)-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 134325548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).