6-(2,5-dimethylindazol-4-yl)-3-(1-methylpyrazolo[4,3-c]pyridin-7-yl)-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione

C22H19N7O2S — CID 171903529

IUPAC6-(2,5-dimethylindazol-4-yl)-3-(1-methylpyrazolo[4,3-c]pyridin-7-yl)-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESCc1ccc2nn(C)cc2c1C1=CC2NC(=O)N(c3cncc4cnn(C)c34)C(=O)C2S1
InChIInChI=1S/C22H19N7O2S/c1-11-4-5-14-13(10-27(2)26-14)18(11)17-6-15-20(32-17)21(30)29(22(31)25-15)16-9-23-7-12-8-24-28(3)19(12)16/h4-10,15,20H,1-3H3,(H,25,31)
InChIKeyRWBRINWWXFYAHF-UHFFFAOYSA-N
MW445.51 g/mol
LogP2.74
Rot. Bonds2

About 6-(2,5-dimethylindazol-4-yl)-3-(1-methylpyrazolo[4,3-c]pyridin-7-yl)-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione

6-(2,5-dimethylindazol-4-yl)-3-(1-methylpyrazolo[4,3-c]pyridin-7-yl)-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 171903529) has the molecular formula C22H19N7O2S and a molecular weight of 445.51 g/mol. Its IUPAC name is 6-(2,5-dimethylindazol-4-yl)-3-(1-methylpyrazolo[4,3-c]pyridin-7-yl)-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2,5-dimethylindazol-4-yl)-3-(1-methylpyrazolo[4,3-c]pyridin-7-yl)-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID171903529
Molecular FormulaC22H19N7O2S
Molecular Weight445.51 g/mol
Exact Mass445.13
IUPAC Name6-(2,5-dimethylindazol-4-yl)-3-(1-methylpyrazolo[4,3-c]pyridin-7-yl)-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESCc1ccc2nn(C)cc2c1C1=CC2NC(=O)N(c3cncc4cnn(C)c34)C(=O)C2S1
InChIInChI=1S/C22H19N7O2S/c1-11-4-5-14-13(10-27(2)26-14)18(11)17-6-15-20(32-17)21(30)29(22(31)25-15)16-9-23-7-12-8-24-28(3)19(12)16/h4-10,15,20H,1-3H3,(H,25,31)
InChIKeyRWBRINWWXFYAHF-UHFFFAOYSA-N
XLogP2.74
TPSA97.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.51
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(2,5-dimethylindazol-4-yl)-3-(1-methylpyrazolo[4,3-c]pyridin-7-yl)-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylindazol-4-yl)-3-(1-methylpyrazolo[4,3-c]pyridin-7-yl)-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(2,5-dimethylindazol-4-yl)-3-(1-methylpyrazolo[4,3-c]pyridin-7-yl)-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione (CID 171903529) is 6-(2,5-dimethylindazol-4-yl)-3-(1-methylpyrazolo[4,3-c]pyridin-7-yl)-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2,5-dimethylindazol-4-yl)-3-(1-methylpyrazolo[4,3-c]pyridin-7-yl)-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(2,5-dimethylindazol-4-yl)-3-(1-methylpyrazolo[4,3-c]pyridin-7-yl)-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione is Cc1ccc2nn(C)cc2c1C1=CC2NC(=O)N(c3cncc4cnn(C)c34)C(=O)C2S1.
What is the InChIKey of 6-(2,5-dimethylindazol-4-yl)-3-(1-methylpyrazolo[4,3-c]pyridin-7-yl)-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is RWBRINWWXFYAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O2S/c1-11-4-5-14-13(10-27(2)26-14)18(11)17-6-15-20(32-17)21(30)29(22(31)25-15)16-9-23-7-12-8-24-28(3)19(12)16/h4-10,15,20H,1-3H3,(H,25,31).
What are the key properties of 6-(2,5-dimethylindazol-4-yl)-3-(1-methylpyrazolo[4,3-c]pyridin-7-yl)-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione?
6-(2,5-dimethylindazol-4-yl)-3-(1-methylpyrazolo[4,3-c]pyridin-7-yl)-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 445.51 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylindazol-4-yl)-3-(1-methylpyrazolo[4,3-c]pyridin-7-yl)-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 171903529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).