1-(thieno[2,3-d]pyrimidin-4-ylamino)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide

C12H11N7OS — CID 123644499

IUPAC1-(thieno[2,3-d]pyrimidin-4-ylamino)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESNC(=O)N1Cc2cnn(Nc3ncnc4sccc34)c2C1
InChIInChI=1S/C12H11N7OS/c13-12(20)18-4-7-3-16-19(9(7)5-18)17-10-8-1-2-21-11(8)15-6-14-10/h1-3,6H,4-5H2,(H2,13,20)(H,14,15,17)
InChIKeyAHBASOWSHDJPDI-UHFFFAOYSA-N
MW301.33 g/mol
LogP1.16
Rot. Bonds2

About 1-(thieno[2,3-d]pyrimidin-4-ylamino)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide

1-(thieno[2,3-d]pyrimidin-4-ylamino)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide (PubChem CID 123644499) has the molecular formula C12H11N7OS and a molecular weight of 301.33 g/mol. Its IUPAC name is 1-(thieno[2,3-d]pyrimidin-4-ylamino)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(thieno[2,3-d]pyrimidin-4-ylamino)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
PubChem CID123644499
Molecular FormulaC12H11N7OS
Molecular Weight301.33 g/mol
Exact Mass301.07
IUPAC Name1-(thieno[2,3-d]pyrimidin-4-ylamino)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESNC(=O)N1Cc2cnn(Nc3ncnc4sccc34)c2C1
InChIInChI=1S/C12H11N7OS/c13-12(20)18-4-7-3-16-19(9(7)5-18)17-10-8-1-2-21-11(8)15-6-14-10/h1-3,6H,4-5H2,(H2,13,20)(H,14,15,17)
InChIKeyAHBASOWSHDJPDI-UHFFFAOYSA-N
XLogP1.16
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(thieno[2,3-d]pyrimidin-4-ylamino)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide 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 1-(thieno[2,3-d]pyrimidin-4-ylamino)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?
The IUPAC name of 1-(thieno[2,3-d]pyrimidin-4-ylamino)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide (CID 123644499) is 1-(thieno[2,3-d]pyrimidin-4-ylamino)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-(thieno[2,3-d]pyrimidin-4-ylamino)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-(thieno[2,3-d]pyrimidin-4-ylamino)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide is NC(=O)N1Cc2cnn(Nc3ncnc4sccc34)c2C1.
What is the InChIKey of 1-(thieno[2,3-d]pyrimidin-4-ylamino)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?
The InChIKey is AHBASOWSHDJPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N7OS/c13-12(20)18-4-7-3-16-19(9(7)5-18)17-10-8-1-2-21-11(8)15-6-14-10/h1-3,6H,4-5H2,(H2,13,20)(H,14,15,17).
What are the key properties of 1-(thieno[2,3-d]pyrimidin-4-ylamino)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?
1-(thieno[2,3-d]pyrimidin-4-ylamino)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide has a molecular weight of 301.33 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thieno[2,3-d]pyrimidin-4-ylamino)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide is sourced from PubChem (CID 123644499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).