5-[[5-(1-methylpyrazol-4-yl)-4-[(3R)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]amino]-N-propylthiophene-3-carboxamide

C22H25N7O3S — CID 154827164

IUPAC5-[[5-(1-methylpyrazol-4-yl)-4-[(3R)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]amino]-N-propylthiophene-3-carboxamide
SMILESCCCNC(=O)c1csc(Nc2nc(O[C@@H]3CCOC3)c3c(ccn3-c3cnn(C)c3)n2)c1
InChIInChI=1S/C22H25N7O3S/c1-3-6-23-20(30)14-9-18(33-13-14)26-22-25-17-4-7-29(15-10-24-28(2)11-15)19(17)21(27-22)32-16-5-8-31-12-16/h4,7,9-11,13,16H,3,5-6,8,12H2,1-2H3,(H,23,30)(H,25,26,27)/t16-/m1/s1
InChIKeyZCTIIQWMHVKPLQ-MRXNPFEDSA-N
MW467.56 g/mol
LogP3.27
Rot. Bonds8

About 5-[[5-(1-methylpyrazol-4-yl)-4-[(3R)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]amino]-N-propylthiophene-3-carboxamide

5-[[5-(1-methylpyrazol-4-yl)-4-[(3R)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]amino]-N-propylthiophene-3-carboxamide (PubChem CID 154827164) has the molecular formula C22H25N7O3S and a molecular weight of 467.56 g/mol. Its IUPAC name is 5-[[5-(1-methylpyrazol-4-yl)-4-[(3R)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]amino]-N-propylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-[[5-(1-methylpyrazol-4-yl)-4-[(3R)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]amino]-N-propylthiophene-3-carboxamide
PubChem CID154827164
Molecular FormulaC22H25N7O3S
Molecular Weight467.56 g/mol
Exact Mass467.17
IUPAC Name5-[[5-(1-methylpyrazol-4-yl)-4-[(3R)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]amino]-N-propylthiophene-3-carboxamide
SMILESCCCNC(=O)c1csc(Nc2nc(O[C@@H]3CCOC3)c3c(ccn3-c3cnn(C)c3)n2)c1
InChIInChI=1S/C22H25N7O3S/c1-3-6-23-20(30)14-9-18(33-13-14)26-22-25-17-4-7-29(15-10-24-28(2)11-15)19(17)21(27-22)32-16-5-8-31-12-16/h4,7,9-11,13,16H,3,5-6,8,12H2,1-2H3,(H,23,30)(H,25,26,27)/t16-/m1/s1
InChIKeyZCTIIQWMHVKPLQ-MRXNPFEDSA-N
XLogP3.27
TPSA108.12 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.56
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-[[5-(1-methylpyrazol-4-yl)-4-[(3R)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]amino]-N-propylthiophene-3-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 5-[[5-(1-methylpyrazol-4-yl)-4-[(3R)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]amino]-N-propylthiophene-3-carboxamide?
The IUPAC name of 5-[[5-(1-methylpyrazol-4-yl)-4-[(3R)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]amino]-N-propylthiophene-3-carboxamide (CID 154827164) is 5-[[5-(1-methylpyrazol-4-yl)-4-[(3R)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]amino]-N-propylthiophene-3-carboxamide.
What is the SMILES notation for 5-[[5-(1-methylpyrazol-4-yl)-4-[(3R)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]amino]-N-propylthiophene-3-carboxamide?
The canonical SMILES for 5-[[5-(1-methylpyrazol-4-yl)-4-[(3R)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]amino]-N-propylthiophene-3-carboxamide is CCCNC(=O)c1csc(Nc2nc(O[C@@H]3CCOC3)c3c(ccn3-c3cnn(C)c3)n2)c1.
What is the InChIKey of 5-[[5-(1-methylpyrazol-4-yl)-4-[(3R)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]amino]-N-propylthiophene-3-carboxamide?
The InChIKey is ZCTIIQWMHVKPLQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H25N7O3S/c1-3-6-23-20(30)14-9-18(33-13-14)26-22-25-17-4-7-29(15-10-24-28(2)11-15)19(17)21(27-22)32-16-5-8-31-12-16/h4,7,9-11,13,16H,3,5-6,8,12H2,1-2H3,(H,23,30)(H,25,26,27)/t16-/m1/s1.
What are the key properties of 5-[[5-(1-methylpyrazol-4-yl)-4-[(3R)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]amino]-N-propylthiophene-3-carboxamide?
5-[[5-(1-methylpyrazol-4-yl)-4-[(3R)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]amino]-N-propylthiophene-3-carboxamide has a molecular weight of 467.56 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(1-methylpyrazol-4-yl)-4-[(3R)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]amino]-N-propylthiophene-3-carboxamide is sourced from PubChem (CID 154827164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).