4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide

C24H22N6O4S — CID 55837983

IUPAC4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)Nc3cccc(Cn4nc5ccccn5c4=O)c3)sc2n1
InChIInChI=1S/C24H22N6O4S/c1-14-19-22(34-3)26-17(13-33-2)27-23(19)35-20(14)21(31)25-16-8-6-7-15(11-16)12-30-24(32)29-10-5-4-9-18(29)28-30/h4-11H,12-13H2,1-3H3,(H,25,31)
InChIKeyBZYWPKIEXZUZAY-UHFFFAOYSA-N
MW490.55 g/mol
LogP3.26
Rot. Bonds7

About 4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide

4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 55837983) has the molecular formula C24H22N6O4S and a molecular weight of 490.55 g/mol. Its IUPAC name is 4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID55837983
Molecular FormulaC24H22N6O4S
Molecular Weight490.55 g/mol
Exact Mass490.14
IUPAC Name4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)Nc3cccc(Cn4nc5ccccn5c4=O)c3)sc2n1
InChIInChI=1S/C24H22N6O4S/c1-14-19-22(34-3)26-17(13-33-2)27-23(19)35-20(14)21(31)25-16-8-6-7-15(11-16)12-30-24(32)29-10-5-4-9-18(29)28-30/h4-11H,12-13H2,1-3H3,(H,25,31)
InChIKeyBZYWPKIEXZUZAY-UHFFFAOYSA-N
XLogP3.26
TPSA112.64 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.55
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

4-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55564769
2-[(4-methoxybenzoyl)amino]-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide
CID 55838761
3-methoxy-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]naphthalene-2-carboxamide
CID 42960917
4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55498148
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55452613
4-methoxy-2-(methoxymethyl)-5-methyl-N-(6-methyl-2-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 17410371
4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(morpholine-4-carbonyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55869198
4-methoxy-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55573855
4-methoxy-2-(methoxymethyl)-N-[4-(2-methoxyphenoxy)phenyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55453289
3-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 55762930
N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-2-phenylmethoxypropanamide
CID 55762938
4-methoxy-2-(methoxymethyl)-5-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55844007

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 55837983) is 4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide is COCc1nc(OC)c2c(C)c(C(=O)Nc3cccc(Cn4nc5ccccn5c4=O)c3)sc2n1.
What is the InChIKey of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is BZYWPKIEXZUZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O4S/c1-14-19-22(34-3)26-17(13-33-2)27-23(19)35-20(14)21(31)25-16-8-6-7-15(11-16)12-30-24(32)29-10-5-4-9-18(29)28-30/h4-11H,12-13H2,1-3H3,(H,25,31).
What are the key properties of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 490.55 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 55837983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).