methyl 5-[2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-2-oxoethyl]-2-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate

C19H17N5O4S — CID 9406073

IUPACmethyl 5-[2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-2-oxoethyl]-2-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1sc2nc(C)[nH]c(=O)c2c1CC(=O)NCc1cn2ccccc2n1
InChIInChI=1S/C19H17N5O4S/c1-10-21-17(26)15-12(16(19(27)28-2)29-18(15)22-10)7-14(25)20-8-11-9-24-6-4-3-5-13(24)23-11/h3-6,9H,7-8H2,1-2H3,(H,20,25)(H,21,22,26)
InChIKeySIINIXKXSAJNGM-UHFFFAOYSA-N
MW411.44 g/mol
LogP1.59
Rot. Bonds5

About methyl 5-[2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-2-oxoethyl]-2-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate

methyl 5-[2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-2-oxoethyl]-2-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 9406073) has the molecular formula C19H17N5O4S and a molecular weight of 411.44 g/mol. Its IUPAC name is methyl 5-[2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-2-oxoethyl]-2-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-2-oxoethyl]-2-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID9406073
Molecular FormulaC19H17N5O4S
Molecular Weight411.44 g/mol
Exact Mass411.10
IUPAC Namemethyl 5-[2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-2-oxoethyl]-2-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1sc2nc(C)[nH]c(=O)c2c1CC(=O)NCc1cn2ccccc2n1
InChIInChI=1S/C19H17N5O4S/c1-10-21-17(26)15-12(16(19(27)28-2)29-18(15)22-10)7-14(25)20-8-11-9-24-6-4-3-5-13(24)23-11/h3-6,9H,7-8H2,1-2H3,(H,20,25)(H,21,22,26)
InChIKeySIINIXKXSAJNGM-UHFFFAOYSA-N
XLogP1.59
TPSA118.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-2-oxoethyl]-2-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of methyl 5-[2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-2-oxoethyl]-2-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate (CID 9406073) is methyl 5-[2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-2-oxoethyl]-2-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 5-[2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-2-oxoethyl]-2-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 5-[2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-2-oxoethyl]-2-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate is COC(=O)c1sc2nc(C)[nH]c(=O)c2c1CC(=O)NCc1cn2ccccc2n1.
What is the InChIKey of methyl 5-[2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-2-oxoethyl]-2-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is SIINIXKXSAJNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O4S/c1-10-21-17(26)15-12(16(19(27)28-2)29-18(15)22-10)7-14(25)20-8-11-9-24-6-4-3-5-13(24)23-11/h3-6,9H,7-8H2,1-2H3,(H,20,25)(H,21,22,26).
What are the key properties of methyl 5-[2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-2-oxoethyl]-2-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate?
methyl 5-[2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-2-oxoethyl]-2-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 411.44 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-2-oxoethyl]-2-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 9406073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).