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

C24H22N8O2 — CID 134325569

IUPAC1-(1,3-dimethylpyrazol-4-yl)-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(-c1cn(C)nc1C)c(=O)n3C
InChIInChI=1S/C24H22N8O2/c1-12-20(11-30(3)29-12)32-22-16-7-15(14-6-18-23(26-9-14)28-13(2)27-18)21(34-5)8-17(16)25-10-19(22)31(4)24(32)33/h6-11H,1-5H3,(H,26,27,28)
InChIKeyJYKUWPCEIFEDOG-UHFFFAOYSA-N
MW454.49 g/mol
LogP3.17
Rot. Bonds3

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

1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 134325569) has the molecular formula C24H22N8O2 and a molecular weight of 454.49 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-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-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one
PubChem CID134325569
Molecular FormulaC24H22N8O2
Molecular Weight454.49 g/mol
Exact Mass454.19
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-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(-c1cn(C)nc1C)c(=O)n3C
InChIInChI=1S/C24H22N8O2/c1-12-20(11-30(3)29-12)32-22-16-7-15(14-6-18-23(26-9-14)28-13(2)27-18)21(34-5)8-17(16)25-10-19(22)31(4)24(32)33/h6-11H,1-5H3,(H,26,27,28)
InChIKeyJYKUWPCEIFEDOG-UHFFFAOYSA-N
XLogP3.17
TPSA108.44 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.49
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-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-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one (CID 134325569) is 1-(1,3-dimethylpyrazol-4-yl)-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-(1,3-dimethylpyrazol-4-yl)-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-(1,3-dimethylpyrazol-4-yl)-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(-c1cn(C)nc1C)c(=O)n3C.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-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 JYKUWPCEIFEDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N8O2/c1-12-20(11-30(3)29-12)32-22-16-7-15(14-6-18-23(26-9-14)28-13(2)27-18)21(34-5)8-17(16)25-10-19(22)31(4)24(32)33/h6-11H,1-5H3,(H,26,27,28).
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one?
1-(1,3-dimethylpyrazol-4-yl)-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 454.49 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-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 134325569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).