6-(4-methoxy-2-methylanilino)-3-methyl-1-[2-(oxan-4-yl)ethyl]imidazo[4,5-c]pyridin-2-one

C22H28N4O3 — CID 163220033

IUPAC6-(4-methoxy-2-methylanilino)-3-methyl-1-[2-(oxan-4-yl)ethyl]imidazo[4,5-c]pyridin-2-one
SMILESCOc1ccc(Nc2cc3c(cn2)n(C)c(=O)n3CCC2CCOCC2)c(C)c1
InChIInChI=1S/C22H28N4O3/c1-15-12-17(28-3)4-5-18(15)24-21-13-19-20(14-23-21)25(2)22(27)26(19)9-6-16-7-10-29-11-8-16/h4-5,12-14,16H,6-11H2,1-3H3,(H,23,24)
InChIKeyXXTQNUUFXVHHHD-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.61
Rot. Bonds6

About 6-(4-methoxy-2-methylanilino)-3-methyl-1-[2-(oxan-4-yl)ethyl]imidazo[4,5-c]pyridin-2-one

6-(4-methoxy-2-methylanilino)-3-methyl-1-[2-(oxan-4-yl)ethyl]imidazo[4,5-c]pyridin-2-one (PubChem CID 163220033) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 6-(4-methoxy-2-methylanilino)-3-methyl-1-[2-(oxan-4-yl)ethyl]imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name6-(4-methoxy-2-methylanilino)-3-methyl-1-[2-(oxan-4-yl)ethyl]imidazo[4,5-c]pyridin-2-one
PubChem CID163220033
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name6-(4-methoxy-2-methylanilino)-3-methyl-1-[2-(oxan-4-yl)ethyl]imidazo[4,5-c]pyridin-2-one
SMILESCOc1ccc(Nc2cc3c(cn2)n(C)c(=O)n3CCC2CCOCC2)c(C)c1
InChIInChI=1S/C22H28N4O3/c1-15-12-17(28-3)4-5-18(15)24-21-13-19-20(14-23-21)25(2)22(27)26(19)9-6-16-7-10-29-11-8-16/h4-5,12-14,16H,6-11H2,1-3H3,(H,23,24)
InChIKeyXXTQNUUFXVHHHD-UHFFFAOYSA-N
XLogP3.61
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxy-2-methylanilino)-3-methyl-1-[2-(oxan-4-yl)ethyl]imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 6-(4-methoxy-2-methylanilino)-3-methyl-1-[2-(oxan-4-yl)ethyl]imidazo[4,5-c]pyridin-2-one (CID 163220033) is 6-(4-methoxy-2-methylanilino)-3-methyl-1-[2-(oxan-4-yl)ethyl]imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 6-(4-methoxy-2-methylanilino)-3-methyl-1-[2-(oxan-4-yl)ethyl]imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 6-(4-methoxy-2-methylanilino)-3-methyl-1-[2-(oxan-4-yl)ethyl]imidazo[4,5-c]pyridin-2-one is COc1ccc(Nc2cc3c(cn2)n(C)c(=O)n3CCC2CCOCC2)c(C)c1.
What is the InChIKey of 6-(4-methoxy-2-methylanilino)-3-methyl-1-[2-(oxan-4-yl)ethyl]imidazo[4,5-c]pyridin-2-one?
The InChIKey is XXTQNUUFXVHHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-15-12-17(28-3)4-5-18(15)24-21-13-19-20(14-23-21)25(2)22(27)26(19)9-6-16-7-10-29-11-8-16/h4-5,12-14,16H,6-11H2,1-3H3,(H,23,24).
What are the key properties of 6-(4-methoxy-2-methylanilino)-3-methyl-1-[2-(oxan-4-yl)ethyl]imidazo[4,5-c]pyridin-2-one?
6-(4-methoxy-2-methylanilino)-3-methyl-1-[2-(oxan-4-yl)ethyl]imidazo[4,5-c]pyridin-2-one has a molecular weight of 396.49 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxy-2-methylanilino)-3-methyl-1-[2-(oxan-4-yl)ethyl]imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 163220033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).