7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-3H-imidazo[4,5-c]pyridin-4-one

C18H22N4O3 — CID 139370909

IUPAC7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-3H-imidazo[4,5-c]pyridin-4-one
SMILESCOc1cc(-c2cn(C)c(=O)c3[nH]cnc23)cc(OC)c1CN(C)C
InChIInChI=1S/C18H22N4O3/c1-21(2)8-13-14(24-4)6-11(7-15(13)25-5)12-9-22(3)18(23)17-16(12)19-10-20-17/h6-7,9-10H,8H2,1-5H3,(H,19,20)
InChIKeyJJHNBLGATNJHHR-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.01
Rot. Bonds5

About 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-3H-imidazo[4,5-c]pyridin-4-one

7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-3H-imidazo[4,5-c]pyridin-4-one (PubChem CID 139370909) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-3H-imidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-3H-imidazo[4,5-c]pyridin-4-one
PubChem CID139370909
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-3H-imidazo[4,5-c]pyridin-4-one
SMILESCOc1cc(-c2cn(C)c(=O)c3[nH]cnc23)cc(OC)c1CN(C)C
InChIInChI=1S/C18H22N4O3/c1-21(2)8-13-14(24-4)6-11(7-15(13)25-5)12-9-22(3)18(23)17-16(12)19-10-20-17/h6-7,9-10H,8H2,1-5H3,(H,19,20)
InChIKeyJJHNBLGATNJHHR-UHFFFAOYSA-N
XLogP2.01
TPSA72.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-3H-imidazo[4,5-c]pyridin-4-one?
The IUPAC name of 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-3H-imidazo[4,5-c]pyridin-4-one (CID 139370909) is 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-3H-imidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-3H-imidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-3H-imidazo[4,5-c]pyridin-4-one is COc1cc(-c2cn(C)c(=O)c3[nH]cnc23)cc(OC)c1CN(C)C.
What is the InChIKey of 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-3H-imidazo[4,5-c]pyridin-4-one?
The InChIKey is JJHNBLGATNJHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-21(2)8-13-14(24-4)6-11(7-15(13)25-5)12-9-22(3)18(23)17-16(12)19-10-20-17/h6-7,9-10H,8H2,1-5H3,(H,19,20).
What are the key properties of 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-3H-imidazo[4,5-c]pyridin-4-one?
7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-3H-imidazo[4,5-c]pyridin-4-one has a molecular weight of 342.40 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-3H-imidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 139370909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).