6-(1-cyclopropyl-4-methoxypyrazol-5-yl)-1-[[4-(4-methyl-1-propan-2-ylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine

C26H28N8O — CID 171762907

IUPAC6-(1-cyclopropyl-4-methoxypyrazol-5-yl)-1-[[4-(4-methyl-1-propan-2-ylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine
SMILESCOc1cnn(C2CC2)c1-c1ncc2cnn(Cc3ccc(-c4nc(C)cn4C(C)C)cc3)c2n1
InChIInChI=1S/C26H28N8O/c1-16(2)32-14-17(3)30-25(32)19-7-5-18(6-8-19)15-33-26-20(12-28-33)11-27-24(31-26)23-22(35-4)13-29-34(23)21-9-10-21/h5-8,11-14,16,21H,9-10,15H2,1-4H3
InChIKeyPLTSDOJNMJBUJP-UHFFFAOYSA-N
MW468.57 g/mol
LogP4.83
Rot. Bonds7

About 6-(1-cyclopropyl-4-methoxypyrazol-5-yl)-1-[[4-(4-methyl-1-propan-2-ylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine

6-(1-cyclopropyl-4-methoxypyrazol-5-yl)-1-[[4-(4-methyl-1-propan-2-ylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine (PubChem CID 171762907) has the molecular formula C26H28N8O and a molecular weight of 468.57 g/mol. Its IUPAC name is 6-(1-cyclopropyl-4-methoxypyrazol-5-yl)-1-[[4-(4-methyl-1-propan-2-ylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-(1-cyclopropyl-4-methoxypyrazol-5-yl)-1-[[4-(4-methyl-1-propan-2-ylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine
PubChem CID171762907
Molecular FormulaC26H28N8O
Molecular Weight468.57 g/mol
Exact Mass468.24
IUPAC Name6-(1-cyclopropyl-4-methoxypyrazol-5-yl)-1-[[4-(4-methyl-1-propan-2-ylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine
SMILESCOc1cnn(C2CC2)c1-c1ncc2cnn(Cc3ccc(-c4nc(C)cn4C(C)C)cc3)c2n1
InChIInChI=1S/C26H28N8O/c1-16(2)32-14-17(3)30-25(32)19-7-5-18(6-8-19)15-33-26-20(12-28-33)11-27-24(31-26)23-22(35-4)13-29-34(23)21-9-10-21/h5-8,11-14,16,21H,9-10,15H2,1-4H3
InChIKeyPLTSDOJNMJBUJP-UHFFFAOYSA-N
XLogP4.83
TPSA88.47 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.57
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-(1-cyclopropyl-4-methoxypyrazol-5-yl)-1-[[4-(4-methyl-1-propan-2-ylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopropyl-4-methoxypyrazol-5-yl)-1-[[4-(4-methyl-1-propan-2-ylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 6-(1-cyclopropyl-4-methoxypyrazol-5-yl)-1-[[4-(4-methyl-1-propan-2-ylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine (CID 171762907) is 6-(1-cyclopropyl-4-methoxypyrazol-5-yl)-1-[[4-(4-methyl-1-propan-2-ylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-(1-cyclopropyl-4-methoxypyrazol-5-yl)-1-[[4-(4-methyl-1-propan-2-ylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 6-(1-cyclopropyl-4-methoxypyrazol-5-yl)-1-[[4-(4-methyl-1-propan-2-ylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine is COc1cnn(C2CC2)c1-c1ncc2cnn(Cc3ccc(-c4nc(C)cn4C(C)C)cc3)c2n1.
What is the InChIKey of 6-(1-cyclopropyl-4-methoxypyrazol-5-yl)-1-[[4-(4-methyl-1-propan-2-ylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine?
The InChIKey is PLTSDOJNMJBUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8O/c1-16(2)32-14-17(3)30-25(32)19-7-5-18(6-8-19)15-33-26-20(12-28-33)11-27-24(31-26)23-22(35-4)13-29-34(23)21-9-10-21/h5-8,11-14,16,21H,9-10,15H2,1-4H3.
What are the key properties of 6-(1-cyclopropyl-4-methoxypyrazol-5-yl)-1-[[4-(4-methyl-1-propan-2-ylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine?
6-(1-cyclopropyl-4-methoxypyrazol-5-yl)-1-[[4-(4-methyl-1-propan-2-ylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine has a molecular weight of 468.57 g/mol, XLogP of 4.83, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopropyl-4-methoxypyrazol-5-yl)-1-[[4-(4-methyl-1-propan-2-ylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 171762907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).