2-[1-[2-(2-methoxyphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid

C30H31N5O7S — CID 137451838

IUPAC2-[1-[2-(2-methoxyphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid
SMILESCOc1ccccc1C(Cn1c(=O)n(C(C)(C)C(=O)O)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCc2nccn2C1
InChIInChI=1S/C30H31N5O7S/c1-17-23-26(36)35(30(2,3)28(37)38)29(39)34(27(23)43-24(17)25-32-12-14-41-25)16-21(19-7-5-6-8-20(19)40-4)42-18-9-10-22-31-11-13-33(22)15-18/h5-8,11-14,18,21H,9-10,15-16H2,1-4H3,(H,37,38)
InChIKeyACXOXVCMQDYOJU-UHFFFAOYSA-N
MW605.67 g/mol
LogP3.99
Rot. Bonds9

About 2-[1-[2-(2-methoxyphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid

2-[1-[2-(2-methoxyphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid (PubChem CID 137451838) has the molecular formula C30H31N5O7S and a molecular weight of 605.67 g/mol. Its IUPAC name is 2-[1-[2-(2-methoxyphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[1-[2-(2-methoxyphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid
PubChem CID137451838
Molecular FormulaC30H31N5O7S
Molecular Weight605.67 g/mol
Exact Mass605.19
IUPAC Name2-[1-[2-(2-methoxyphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid
SMILESCOc1ccccc1C(Cn1c(=O)n(C(C)(C)C(=O)O)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCc2nccn2C1
InChIInChI=1S/C30H31N5O7S/c1-17-23-26(36)35(30(2,3)28(37)38)29(39)34(27(23)43-24(17)25-32-12-14-41-25)16-21(19-7-5-6-8-20(19)40-4)42-18-9-10-22-31-11-13-33(22)15-18/h5-8,11-14,18,21H,9-10,15-16H2,1-4H3,(H,37,38)
InChIKeyACXOXVCMQDYOJU-UHFFFAOYSA-N
XLogP3.99
TPSA143.61 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.67
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 2-[1-[2-(2-methoxyphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-methoxyphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[1-[2-(2-methoxyphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid (CID 137451838) is 2-[1-[2-(2-methoxyphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[1-[2-(2-methoxyphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[1-[2-(2-methoxyphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid is COc1ccccc1C(Cn1c(=O)n(C(C)(C)C(=O)O)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCc2nccn2C1.
What is the InChIKey of 2-[1-[2-(2-methoxyphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid?
The InChIKey is ACXOXVCMQDYOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O7S/c1-17-23-26(36)35(30(2,3)28(37)38)29(39)34(27(23)43-24(17)25-32-12-14-41-25)16-21(19-7-5-6-8-20(19)40-4)42-18-9-10-22-31-11-13-33(22)15-18/h5-8,11-14,18,21H,9-10,15-16H2,1-4H3,(H,37,38).
What are the key properties of 2-[1-[2-(2-methoxyphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid?
2-[1-[2-(2-methoxyphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid has a molecular weight of 605.67 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-methoxyphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid is sourced from PubChem (CID 137451838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).