6-(4-methylphenyl)-N-(2-phenylpyrimidin-5-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C27H24N6O — CID 139015894

IUPAC6-(4-methylphenyl)-N-(2-phenylpyrimidin-5-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cnc(-c4ccccc4)nc3)c3cnn(C(C)C)c3n2)cc1
InChIInChI=1S/C27H24N6O/c1-17(2)33-26-23(16-30-33)22(13-24(32-26)19-11-9-18(3)10-12-19)27(34)31-21-14-28-25(29-15-21)20-7-5-4-6-8-20/h4-17H,1-3H3,(H,31,34)
InChIKeyDLNCEVSYXGVHQZ-UHFFFAOYSA-N
MW448.53 g/mol
LogP5.70
Rot. Bonds5

About 6-(4-methylphenyl)-N-(2-phenylpyrimidin-5-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

6-(4-methylphenyl)-N-(2-phenylpyrimidin-5-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 139015894) has the molecular formula C27H24N6O and a molecular weight of 448.53 g/mol. Its IUPAC name is 6-(4-methylphenyl)-N-(2-phenylpyrimidin-5-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(4-methylphenyl)-N-(2-phenylpyrimidin-5-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID139015894
Molecular FormulaC27H24N6O
Molecular Weight448.53 g/mol
Exact Mass448.20
IUPAC Name6-(4-methylphenyl)-N-(2-phenylpyrimidin-5-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cnc(-c4ccccc4)nc3)c3cnn(C(C)C)c3n2)cc1
InChIInChI=1S/C27H24N6O/c1-17(2)33-26-23(16-30-33)22(13-24(32-26)19-11-9-18(3)10-12-19)27(34)31-21-14-28-25(29-15-21)20-7-5-4-6-8-20/h4-17H,1-3H3,(H,31,34)
InChIKeyDLNCEVSYXGVHQZ-UHFFFAOYSA-N
XLogP5.70
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.53
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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N-butan-2-yl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-N-(2-phenylpyrimidin-5-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(4-methylphenyl)-N-(2-phenylpyrimidin-5-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 139015894) is 6-(4-methylphenyl)-N-(2-phenylpyrimidin-5-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(4-methylphenyl)-N-(2-phenylpyrimidin-5-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(4-methylphenyl)-N-(2-phenylpyrimidin-5-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3cnc(-c4ccccc4)nc3)c3cnn(C(C)C)c3n2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-N-(2-phenylpyrimidin-5-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is DLNCEVSYXGVHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O/c1-17(2)33-26-23(16-30-33)22(13-24(32-26)19-11-9-18(3)10-12-19)27(34)31-21-14-28-25(29-15-21)20-7-5-4-6-8-20/h4-17H,1-3H3,(H,31,34).
What are the key properties of 6-(4-methylphenyl)-N-(2-phenylpyrimidin-5-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-(4-methylphenyl)-N-(2-phenylpyrimidin-5-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-N-(2-phenylpyrimidin-5-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 139015894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).