2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

C20H17N3OS2 — CID 2999853

IUPAC2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCC1Cc2ccccc2N1Cc1nc2scc(-c3cccs3)c2c(=O)[nH]1
InChIInChI=1S/C20H17N3OS2/c1-12-9-13-5-2-3-6-15(13)23(12)10-17-21-19(24)18-14(11-26-20(18)22-17)16-7-4-8-25-16/h2-8,11-12H,9-10H2,1H3,(H,21,22,24)
InChIKeyJMWZNDZGVDIRNP-UHFFFAOYSA-N
MW379.51 g/mol
LogP4.66
Rot. Bonds3

About 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 2999853) has the molecular formula C20H17N3OS2 and a molecular weight of 379.51 g/mol. Its IUPAC name is 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID2999853
Molecular FormulaC20H17N3OS2
Molecular Weight379.51 g/mol
Exact Mass379.08
IUPAC Name2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCC1Cc2ccccc2N1Cc1nc2scc(-c3cccs3)c2c(=O)[nH]1
InChIInChI=1S/C20H17N3OS2/c1-12-9-13-5-2-3-6-15(13)23(12)10-17-21-19(24)18-14(11-26-20(18)22-17)16-7-4-8-25-16/h2-8,11-12H,9-10H2,1H3,(H,21,22,24)
InChIKeyJMWZNDZGVDIRNP-UHFFFAOYSA-N
XLogP4.66
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-5-thiophen-2-yl-3H-thieno[2,3-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 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one (CID 2999853) is 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one is CC1Cc2ccccc2N1Cc1nc2scc(-c3cccs3)c2c(=O)[nH]1.
What is the InChIKey of 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is JMWZNDZGVDIRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS2/c1-12-9-13-5-2-3-6-15(13)23(12)10-17-21-19(24)18-14(11-26-20(18)22-17)16-7-4-8-25-16/h2-8,11-12H,9-10H2,1H3,(H,21,22,24).
What are the key properties of 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 379.51 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 2999853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).