1-(cyclopropylmethyl)-6-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-b]pyridin-2-one

C19H21N3O4 — CID 46235725

IUPAC1-(cyclopropylmethyl)-6-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESCOc1cc(-c2cnc3[nH]c(=O)n(CC4CC4)c3c2)cc(OC)c1OC
InChIInChI=1S/C19H21N3O4/c1-24-15-7-12(8-16(25-2)17(15)26-3)13-6-14-18(20-9-13)21-19(23)22(14)10-11-4-5-11/h6-9,11H,4-5,10H2,1-3H3,(H,20,21,23)
InChIKeyXRYFFCUHEFROCI-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.83
Rot. Bonds6

About 1-(cyclopropylmethyl)-6-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-b]pyridin-2-one

1-(cyclopropylmethyl)-6-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 46235725) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-6-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-6-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID46235725
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name1-(cyclopropylmethyl)-6-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESCOc1cc(-c2cnc3[nH]c(=O)n(CC4CC4)c3c2)cc(OC)c1OC
InChIInChI=1S/C19H21N3O4/c1-24-15-7-12(8-16(25-2)17(15)26-3)13-6-14-18(20-9-13)21-19(23)22(14)10-11-4-5-11/h6-9,11H,4-5,10H2,1-3H3,(H,20,21,23)
InChIKeyXRYFFCUHEFROCI-UHFFFAOYSA-N
XLogP2.83
TPSA78.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-6-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-6-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-b]pyridin-2-one (CID 46235725) is 1-(cyclopropylmethyl)-6-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-6-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-6-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-b]pyridin-2-one is COc1cc(-c2cnc3[nH]c(=O)n(CC4CC4)c3c2)cc(OC)c1OC.
What is the InChIKey of 1-(cyclopropylmethyl)-6-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is XRYFFCUHEFROCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-24-15-7-12(8-16(25-2)17(15)26-3)13-6-14-18(20-9-13)21-19(23)22(14)10-11-4-5-11/h6-9,11H,4-5,10H2,1-3H3,(H,20,21,23).
What are the key properties of 1-(cyclopropylmethyl)-6-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-b]pyridin-2-one?
1-(cyclopropylmethyl)-6-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 355.39 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-6-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 46235725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).