1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one

C25H20FN7O3 — CID 134325570

IUPAC1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cnc2nc(C)[nH]c2c1)n(-c1c(F)cncc1OC)c(=O)n3C
InChIInChI=1S/C25H20FN7O3/c1-12-30-18-5-13(8-29-24(18)31-12)14-6-15-17(7-20(14)35-3)28-10-19-22(15)33(25(34)32(19)2)23-16(26)9-27-11-21(23)36-4/h5-11H,1-4H3,(H,29,30,31)
InChIKeyUPIWTLNSVACODE-UHFFFAOYSA-N
MW485.48 g/mol
LogP3.68
Rot. Bonds4

About 1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one

1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 134325570) has the molecular formula C25H20FN7O3 and a molecular weight of 485.48 g/mol. Its IUPAC name is 1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one
PubChem CID134325570
Molecular FormulaC25H20FN7O3
Molecular Weight485.48 g/mol
Exact Mass485.16
IUPAC Name1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cnc2nc(C)[nH]c2c1)n(-c1c(F)cncc1OC)c(=O)n3C
InChIInChI=1S/C25H20FN7O3/c1-12-30-18-5-13(8-29-24(18)31-12)14-6-15-17(7-20(14)35-3)28-10-19-22(15)33(25(34)32(19)2)23-16(26)9-27-11-21(23)36-4/h5-11H,1-4H3,(H,29,30,31)
InChIKeyUPIWTLNSVACODE-UHFFFAOYSA-N
XLogP3.68
TPSA112.74 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.48
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one (CID 134325570) is 1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one is COc1cc2ncc3c(c2cc1-c1cnc2nc(C)[nH]c2c1)n(-c1c(F)cncc1OC)c(=O)n3C.
What is the InChIKey of 1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is UPIWTLNSVACODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN7O3/c1-12-30-18-5-13(8-29-24(18)31-12)14-6-15-17(7-20(14)35-3)28-10-19-22(15)33(25(34)32(19)2)23-16(26)9-27-11-21(23)36-4/h5-11H,1-4H3,(H,29,30,31).
What are the key properties of 1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one?
1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 485.48 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 134325570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).