5-[[4-cyclohexyloxy-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-N-methylthiophene-3-carboxamide

C22H25N7O2S — CID 154827160

IUPAC5-[[4-cyclohexyloxy-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-N-methylthiophene-3-carboxamide
SMILESCNC(=O)c1csc(Nc2nc(OC3CCCCC3)c3c(ccn3-c3cnn(C)c3)n2)c1
InChIInChI=1S/C22H25N7O2S/c1-23-20(30)14-10-18(32-13-14)26-22-25-17-8-9-29(15-11-24-28(2)12-15)19(17)21(27-22)31-16-6-4-3-5-7-16/h8-13,16H,3-7H2,1-2H3,(H,23,30)(H,25,26,27)
InChIKeyXABRWUATFZDZSD-UHFFFAOYSA-N
MW451.56 g/mol
LogP4.03
Rot. Bonds6

About 5-[[4-cyclohexyloxy-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-N-methylthiophene-3-carboxamide

5-[[4-cyclohexyloxy-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-N-methylthiophene-3-carboxamide (PubChem CID 154827160) has the molecular formula C22H25N7O2S and a molecular weight of 451.56 g/mol. Its IUPAC name is 5-[[4-cyclohexyloxy-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-[[4-cyclohexyloxy-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-N-methylthiophene-3-carboxamide
PubChem CID154827160
Molecular FormulaC22H25N7O2S
Molecular Weight451.56 g/mol
Exact Mass451.18
IUPAC Name5-[[4-cyclohexyloxy-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-N-methylthiophene-3-carboxamide
SMILESCNC(=O)c1csc(Nc2nc(OC3CCCCC3)c3c(ccn3-c3cnn(C)c3)n2)c1
InChIInChI=1S/C22H25N7O2S/c1-23-20(30)14-10-18(32-13-14)26-22-25-17-8-9-29(15-11-24-28(2)12-15)19(17)21(27-22)31-16-6-4-3-5-7-16/h8-13,16H,3-7H2,1-2H3,(H,23,30)(H,25,26,27)
InChIKeyXABRWUATFZDZSD-UHFFFAOYSA-N
XLogP4.03
TPSA98.89 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.56
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[[4-cyclohexyloxy-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-N-methylthiophene-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-[[4-cyclohexyloxy-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-N-methylthiophene-3-carboxamide?
The IUPAC name of 5-[[4-cyclohexyloxy-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-N-methylthiophene-3-carboxamide (CID 154827160) is 5-[[4-cyclohexyloxy-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-N-methylthiophene-3-carboxamide.
What is the SMILES notation for 5-[[4-cyclohexyloxy-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-N-methylthiophene-3-carboxamide?
The canonical SMILES for 5-[[4-cyclohexyloxy-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-N-methylthiophene-3-carboxamide is CNC(=O)c1csc(Nc2nc(OC3CCCCC3)c3c(ccn3-c3cnn(C)c3)n2)c1.
What is the InChIKey of 5-[[4-cyclohexyloxy-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-N-methylthiophene-3-carboxamide?
The InChIKey is XABRWUATFZDZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2S/c1-23-20(30)14-10-18(32-13-14)26-22-25-17-8-9-29(15-11-24-28(2)12-15)19(17)21(27-22)31-16-6-4-3-5-7-16/h8-13,16H,3-7H2,1-2H3,(H,23,30)(H,25,26,27).
What are the key properties of 5-[[4-cyclohexyloxy-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-N-methylthiophene-3-carboxamide?
5-[[4-cyclohexyloxy-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-N-methylthiophene-3-carboxamide has a molecular weight of 451.56 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-cyclohexyloxy-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 154827160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).