1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one

C21H16F2N6O2 — CID 134325524

IUPAC1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cn[nH]c1C)n(-c1ncc(F)cc1F)c(=O)n3C
InChIInChI=1S/C21H16F2N6O2/c1-10-14(8-26-27-10)12-5-13-16(6-18(12)31-3)24-9-17-19(13)29(21(30)28(17)2)20-15(23)4-11(22)7-25-20/h4-9H,1-3H3,(H,26,27)
InChIKeyYEJGLXWXUNPWNG-UHFFFAOYSA-N
MW422.40 g/mol
LogP3.26
Rot. Bonds3

About 1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one

1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 134325524) has the molecular formula C21H16F2N6O2 and a molecular weight of 422.40 g/mol. Its IUPAC name is 1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
PubChem CID134325524
Molecular FormulaC21H16F2N6O2
Molecular Weight422.40 g/mol
Exact Mass422.13
IUPAC Name1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cn[nH]c1C)n(-c1ncc(F)cc1F)c(=O)n3C
InChIInChI=1S/C21H16F2N6O2/c1-10-14(8-26-27-10)12-5-13-16(6-18(12)31-3)24-9-17-19(13)29(21(30)28(17)2)20-15(23)4-11(22)7-25-20/h4-9H,1-3H3,(H,26,27)
InChIKeyYEJGLXWXUNPWNG-UHFFFAOYSA-N
XLogP3.26
TPSA90.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (CID 134325524) is 1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is COc1cc2ncc3c(c2cc1-c1cn[nH]c1C)n(-c1ncc(F)cc1F)c(=O)n3C.
What is the InChIKey of 1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is YEJGLXWXUNPWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N6O2/c1-10-14(8-26-27-10)12-5-13-16(6-18(12)31-3)24-9-17-19(13)29(21(30)28(17)2)20-15(23)4-11(22)7-25-20/h4-9H,1-3H3,(H,26,27).
What are the key properties of 1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 422.40 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 134325524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).