N-methyl-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide

C26H23N5O2S — CID 24570965

IUPACN-methyl-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
SMILESCc1sc2ncn(CC(=O)N(C)Cc3cnn(-c4ccccc4)c3)c(=O)c2c1-c1ccccc1
InChIInChI=1S/C26H23N5O2S/c1-18-23(20-9-5-3-6-10-20)24-25(34-18)27-17-30(26(24)33)16-22(32)29(2)14-19-13-28-31(15-19)21-11-7-4-8-12-21/h3-13,15,17H,14,16H2,1-2H3
InChIKeyJMUBFSNFMAWRLZ-UHFFFAOYSA-N
MW469.57 g/mol
LogP4.28
Rot. Bonds6

About N-methyl-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide

N-methyl-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide (PubChem CID 24570965) has the molecular formula C26H23N5O2S and a molecular weight of 469.57 g/mol. Its IUPAC name is N-methyl-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
PubChem CID24570965
Molecular FormulaC26H23N5O2S
Molecular Weight469.57 g/mol
Exact Mass469.16
IUPAC NameN-methyl-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
SMILESCc1sc2ncn(CC(=O)N(C)Cc3cnn(-c4ccccc4)c3)c(=O)c2c1-c1ccccc1
InChIInChI=1S/C26H23N5O2S/c1-18-23(20-9-5-3-6-10-20)24-25(34-18)27-17-30(26(24)33)16-22(32)29(2)14-19-13-28-31(15-19)21-11-7-4-8-12-21/h3-13,15,17H,14,16H2,1-2H3
InChIKeyJMUBFSNFMAWRLZ-UHFFFAOYSA-N
XLogP4.28
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.57
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 9069897
N-benzyl-2-[5-(3,4-dimethylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-methylacetamide
CID 40842357
N-butyl-N-methyl-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 7729459
N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 51288185
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 17422564
N-methyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 29417377
3-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanoic acid
CID 9122815
6-methyl-5-(4-methylphenyl)-3-[2-oxo-2-(4-phenylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 23408920
2-(4,5-dimethylimidazol-1-yl)-N-methyl-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]acetamide
CID 91835564
2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide
CID 1193253
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
3-[2-(3,4-difluorophenyl)-2-oxoethyl]-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 7456747

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of N-methyl-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide (CID 24570965) is N-methyl-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for N-methyl-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide is Cc1sc2ncn(CC(=O)N(C)Cc3cnn(-c4ccccc4)c3)c(=O)c2c1-c1ccccc1.
What is the InChIKey of N-methyl-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The InChIKey is JMUBFSNFMAWRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2S/c1-18-23(20-9-5-3-6-10-20)24-25(34-18)27-17-30(26(24)33)16-22(32)29(2)14-19-13-28-31(15-19)21-11-7-4-8-12-21/h3-13,15,17H,14,16H2,1-2H3.
What are the key properties of N-methyl-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
N-methyl-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide has a molecular weight of 469.57 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 24570965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).