6-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]-1,3-dimethyl-7-propylpyrrolo[2,3-d]pyrimidine-2,4-dione

C22H27N5O3S — CID 121154381

IUPAC6-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]-1,3-dimethyl-7-propylpyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCCCn1c(C(=O)N2CC(N3CCc4sccc4C3)C2)cc2c(=O)n(C)c(=O)n(C)c21
InChIInChI=1S/C22H27N5O3S/c1-4-7-27-17(10-16-19(27)23(2)22(30)24(3)20(16)28)21(29)26-12-15(13-26)25-8-5-18-14(11-25)6-9-31-18/h6,9-10,15H,4-5,7-8,11-13H2,1-3H3
InChIKeyHXYAPGSALFTKFY-UHFFFAOYSA-N
MW441.56 g/mol
LogP1.39
Rot. Bonds4

About 6-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]-1,3-dimethyl-7-propylpyrrolo[2,3-d]pyrimidine-2,4-dione

6-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]-1,3-dimethyl-7-propylpyrrolo[2,3-d]pyrimidine-2,4-dione (PubChem CID 121154381) has the molecular formula C22H27N5O3S and a molecular weight of 441.56 g/mol. Its IUPAC name is 6-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]-1,3-dimethyl-7-propylpyrrolo[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]-1,3-dimethyl-7-propylpyrrolo[2,3-d]pyrimidine-2,4-dione
PubChem CID121154381
Molecular FormulaC22H27N5O3S
Molecular Weight441.56 g/mol
Exact Mass441.18
IUPAC Name6-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]-1,3-dimethyl-7-propylpyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCCCn1c(C(=O)N2CC(N3CCc4sccc4C3)C2)cc2c(=O)n(C)c(=O)n(C)c21
InChIInChI=1S/C22H27N5O3S/c1-4-7-27-17(10-16-19(27)23(2)22(30)24(3)20(16)28)21(29)26-12-15(13-26)25-8-5-18-14(11-25)6-9-31-18/h6,9-10,15H,4-5,7-8,11-13H2,1-3H3
InChIKeyHXYAPGSALFTKFY-UHFFFAOYSA-N
XLogP1.39
TPSA72.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.56
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]-1,3-dimethyl-7-propylpyrrolo[2,3-d]pyrimidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]-1,3-dimethyl-7-propylpyrrolo[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]-1,3-dimethyl-7-propylpyrrolo[2,3-d]pyrimidine-2,4-dione (CID 121154381) is 6-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]-1,3-dimethyl-7-propylpyrrolo[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]-1,3-dimethyl-7-propylpyrrolo[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]-1,3-dimethyl-7-propylpyrrolo[2,3-d]pyrimidine-2,4-dione is CCCn1c(C(=O)N2CC(N3CCc4sccc4C3)C2)cc2c(=O)n(C)c(=O)n(C)c21.
What is the InChIKey of 6-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]-1,3-dimethyl-7-propylpyrrolo[2,3-d]pyrimidine-2,4-dione?
The InChIKey is HXYAPGSALFTKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3S/c1-4-7-27-17(10-16-19(27)23(2)22(30)24(3)20(16)28)21(29)26-12-15(13-26)25-8-5-18-14(11-25)6-9-31-18/h6,9-10,15H,4-5,7-8,11-13H2,1-3H3.
What are the key properties of 6-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]-1,3-dimethyl-7-propylpyrrolo[2,3-d]pyrimidine-2,4-dione?
6-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]-1,3-dimethyl-7-propylpyrrolo[2,3-d]pyrimidine-2,4-dione has a molecular weight of 441.56 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]-1,3-dimethyl-7-propylpyrrolo[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 121154381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).