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

C21H17FN6O2 — CID 122589403

IUPAC1-(3-fluoro-5-methyl-2-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cn[nH]c1)n(-c1ncc(C)cc1F)c(=O)n3C
InChIInChI=1S/C21H17FN6O2/c1-11-4-15(22)20(24-7-11)28-19-14-5-13(12-8-25-26-9-12)18(30-3)6-16(14)23-10-17(19)27(2)21(28)29/h4-10H,1-3H3,(H,25,26)
InChIKeyNTGGNFYFFVOSSG-UHFFFAOYSA-N
MW404.41 g/mol
LogP3.12
Rot. Bonds3

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

1-(3-fluoro-5-methyl-2-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 122589403) has the molecular formula C21H17FN6O2 and a molecular weight of 404.41 g/mol. Its IUPAC name is 1-(3-fluoro-5-methyl-2-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(3-fluoro-5-methyl-2-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
PubChem CID122589403
Molecular FormulaC21H17FN6O2
Molecular Weight404.41 g/mol
Exact Mass404.14
IUPAC Name1-(3-fluoro-5-methyl-2-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cn[nH]c1)n(-c1ncc(C)cc1F)c(=O)n3C
InChIInChI=1S/C21H17FN6O2/c1-11-4-15(22)20(24-7-11)28-19-14-5-13(12-8-25-26-9-12)18(30-3)6-16(14)23-10-17(19)27(2)21(28)29/h4-10H,1-3H3,(H,25,26)
InChIKeyNTGGNFYFFVOSSG-UHFFFAOYSA-N
XLogP3.12
TPSA90.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methyl-2-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(3-fluoro-5-methyl-2-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (CID 122589403) is 1-(3-fluoro-5-methyl-2-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(3-fluoro-5-methyl-2-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(3-fluoro-5-methyl-2-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is COc1cc2ncc3c(c2cc1-c1cn[nH]c1)n(-c1ncc(C)cc1F)c(=O)n3C.
What is the InChIKey of 1-(3-fluoro-5-methyl-2-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is NTGGNFYFFVOSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN6O2/c1-11-4-15(22)20(24-7-11)28-19-14-5-13(12-8-25-26-9-12)18(30-3)6-16(14)23-10-17(19)27(2)21(28)29/h4-10H,1-3H3,(H,25,26).
What are the key properties of 1-(3-fluoro-5-methyl-2-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
1-(3-fluoro-5-methyl-2-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 404.41 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methyl-2-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 122589403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).