7-methylsulfonyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

C15H20N4O3S2 — CID 129002691

IUPAC7-methylsulfonyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCC(C)c1nc(Cn2cnc3c(c2=O)CCN(S(C)(=O)=O)C3)cs1
InChIInChI=1S/C15H20N4O3S2/c1-10(2)14-17-11(8-23-14)6-18-9-16-13-7-19(24(3,21)22)5-4-12(13)15(18)20/h8-10H,4-7H2,1-3H3
InChIKeyAKSHQOGPYLVKOM-UHFFFAOYSA-N
MW368.48 g/mol
LogP1.19
Rot. Bonds4

About 7-methylsulfonyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

7-methylsulfonyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 129002691) has the molecular formula C15H20N4O3S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 7-methylsulfonyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-methylsulfonyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID129002691
Molecular FormulaC15H20N4O3S2
Molecular Weight368.48 g/mol
Exact Mass368.10
IUPAC Name7-methylsulfonyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCC(C)c1nc(Cn2cnc3c(c2=O)CCN(S(C)(=O)=O)C3)cs1
InChIInChI=1S/C15H20N4O3S2/c1-10(2)14-17-11(8-23-14)6-18-9-16-13-7-19(24(3,21)22)5-4-12(13)15(18)20/h8-10H,4-7H2,1-3H3
InChIKeyAKSHQOGPYLVKOM-UHFFFAOYSA-N
XLogP1.19
TPSA85.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-methylsulfonyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methylsulfonyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-methylsulfonyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (CID 129002691) is 7-methylsulfonyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-methylsulfonyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-methylsulfonyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is CC(C)c1nc(Cn2cnc3c(c2=O)CCN(S(C)(=O)=O)C3)cs1.
What is the InChIKey of 7-methylsulfonyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is AKSHQOGPYLVKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S2/c1-10(2)14-17-11(8-23-14)6-18-9-16-13-7-19(24(3,21)22)5-4-12(13)15(18)20/h8-10H,4-7H2,1-3H3.
What are the key properties of 7-methylsulfonyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
7-methylsulfonyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 368.48 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfonyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 129002691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).