5-methyl-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylic acid

C18H17N5O4S — CID 135240049

IUPAC5-methyl-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1cc(Nc2ncnc3sc(C(=O)O)c(C)c23)c(=O)n2c1C(=O)NC2(C)C
InChIInChI=1S/C18H17N5O4S/c1-7-5-9(16(25)23-11(7)14(24)22-18(23,3)4)21-13-10-8(2)12(17(26)27)28-15(10)20-6-19-13/h5-6H,1-4H3,(H,22,24)(H,26,27)(H,19,20,21)
InChIKeyFLXBQKFOOAPBQE-UHFFFAOYSA-N
MW399.43 g/mol
LogP2.35
Rot. Bonds3

About 5-methyl-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylic acid

5-methyl-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 135240049) has the molecular formula C18H17N5O4S and a molecular weight of 399.43 g/mol. Its IUPAC name is 5-methyl-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID135240049
Molecular FormulaC18H17N5O4S
Molecular Weight399.43 g/mol
Exact Mass399.10
IUPAC Name5-methyl-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1cc(Nc2ncnc3sc(C(=O)O)c(C)c23)c(=O)n2c1C(=O)NC2(C)C
InChIInChI=1S/C18H17N5O4S/c1-7-5-9(16(25)23-11(7)14(24)22-18(23,3)4)21-13-10-8(2)12(17(26)27)28-15(10)20-6-19-13/h5-6H,1-4H3,(H,22,24)(H,26,27)(H,19,20,21)
InChIKeyFLXBQKFOOAPBQE-UHFFFAOYSA-N
XLogP2.35
TPSA126.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-methyl-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 5-methyl-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylic acid (CID 135240049) is 5-methyl-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 5-methyl-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylic acid is Cc1cc(Nc2ncnc3sc(C(=O)O)c(C)c23)c(=O)n2c1C(=O)NC2(C)C.
What is the InChIKey of 5-methyl-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is FLXBQKFOOAPBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O4S/c1-7-5-9(16(25)23-11(7)14(24)22-18(23,3)4)21-13-10-8(2)12(17(26)27)28-15(10)20-6-19-13/h5-6H,1-4H3,(H,22,24)(H,26,27)(H,19,20,21).
What are the key properties of 5-methyl-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylic acid?
5-methyl-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 399.43 g/mol, XLogP of 2.35, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 135240049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).