5-(3,4-dimethylphenyl)-3-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one

C26H24N4O3S — CID 92839658

IUPAC5-(3,4-dimethylphenyl)-3-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-c2csc3ncn(CC(=O)N4c5ccccc5NC(=O)C[C@H]4C)c(=O)c23)cc1C
InChIInChI=1S/C26H24N4O3S/c1-15-8-9-18(10-16(15)2)19-13-34-25-24(19)26(33)29(14-27-25)12-23(32)30-17(3)11-22(31)28-20-6-4-5-7-21(20)30/h4-10,13-14,17H,11-12H2,1-3H3,(H,28,31)/t17-/m1/s1
InChIKeyIJEADHXDQHNEDO-QGZVFWFLSA-N
MW472.57 g/mol
LogP4.51
Rot. Bonds3

About 5-(3,4-dimethylphenyl)-3-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one

5-(3,4-dimethylphenyl)-3-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 92839658) has the molecular formula C26H24N4O3S and a molecular weight of 472.57 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-3-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-3-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID92839658
Molecular FormulaC26H24N4O3S
Molecular Weight472.57 g/mol
Exact Mass472.16
IUPAC Name5-(3,4-dimethylphenyl)-3-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-c2csc3ncn(CC(=O)N4c5ccccc5NC(=O)C[C@H]4C)c(=O)c23)cc1C
InChIInChI=1S/C26H24N4O3S/c1-15-8-9-18(10-16(15)2)19-13-34-25-24(19)26(33)29(14-27-25)12-23(32)30-17(3)11-22(31)28-20-6-4-5-7-21(20)30/h4-10,13-14,17H,11-12H2,1-3H3,(H,28,31)/t17-/m1/s1
InChIKeyIJEADHXDQHNEDO-QGZVFWFLSA-N
XLogP4.51
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(3,4-dimethylphenyl)-3-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

3-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 40805054
5-(3,4-dimethoxyphenyl)-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
CID 40942518
5-(3,4-dimethylphenyl)-3-[2-oxo-2-(4-phenylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 20999134
3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-5-(5-methylthiophen-2-yl)thieno[2,3-d]pyrimidin-4-one
CID 40898682
5-(3,4-dimethylphenyl)-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 8006059
5-(3,4-dimethylphenyl)-3-ethylthieno[2,3-d]pyrimidin-4-one
CID 2792004
N-(3-cyanophenyl)-2-[5-(3,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 7595307
5-(3,4-dimethylphenyl)-3-(2-imino-4-methylpent-3-enyl)thieno[2,3-d]pyrimidin-4-one
CID 145141589
3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 40859825
3-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 7595329
2-[5-(4-chloro-3-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetic acid
CID 28899617
N-(2,3-dimethylphenyl)-2-[5-(3,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 7595303

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-3-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(3,4-dimethylphenyl)-3-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one (CID 92839658) is 5-(3,4-dimethylphenyl)-3-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-3-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(3,4-dimethylphenyl)-3-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one is Cc1ccc(-c2csc3ncn(CC(=O)N4c5ccccc5NC(=O)C[C@H]4C)c(=O)c23)cc1C.
What is the InChIKey of 5-(3,4-dimethylphenyl)-3-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is IJEADHXDQHNEDO-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H24N4O3S/c1-15-8-9-18(10-16(15)2)19-13-34-25-24(19)26(33)29(14-27-25)12-23(32)30-17(3)11-22(31)28-20-6-4-5-7-21(20)30/h4-10,13-14,17H,11-12H2,1-3H3,(H,28,31)/t17-/m1/s1.
What are the key properties of 5-(3,4-dimethylphenyl)-3-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one?
5-(3,4-dimethylphenyl)-3-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 472.57 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-3-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 92839658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).