3-methyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1-phenyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C29H24N6O — CID 6903349

IUPAC3-methyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1-phenyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(/C=N/NC(=O)c1cc(-c2cccnc2)nc2c1c(C)nn2-c1ccccc1)=C\c1ccccc1
InChIInChI=1S/C29H24N6O/c1-20(16-22-10-5-3-6-11-22)18-31-33-29(36)25-17-26(23-12-9-15-30-19-23)32-28-27(25)21(2)34-35(28)24-13-7-4-8-14-24/h3-19H,1-2H3,(H,33,36)/b20-16+,31-18+
InChIKeyKMFWGHZDMJGOEA-LINOLGOLSA-N
MW472.55 g/mol
LogP5.61
Rot. Bonds6

About 3-methyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1-phenyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide

3-methyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1-phenyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 6903349) has the molecular formula C29H24N6O and a molecular weight of 472.55 g/mol. Its IUPAC name is 3-methyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1-phenyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1-phenyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID6903349
Molecular FormulaC29H24N6O
Molecular Weight472.55 g/mol
Exact Mass472.20
IUPAC Name3-methyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1-phenyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(/C=N/NC(=O)c1cc(-c2cccnc2)nc2c1c(C)nn2-c1ccccc1)=C\c1ccccc1
InChIInChI=1S/C29H24N6O/c1-20(16-22-10-5-3-6-11-22)18-31-33-29(36)25-17-26(23-12-9-15-30-19-23)32-28-27(25)21(2)34-35(28)24-13-7-4-8-14-24/h3-19H,1-2H3,(H,33,36)/b20-16+,31-18+
InChIKeyKMFWGHZDMJGOEA-LINOLGOLSA-N
XLogP5.61
TPSA85.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.55
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1-phenyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3-methyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1-phenyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 6903349) is 3-methyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1-phenyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1-phenyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3-methyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1-phenyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(/C=N/NC(=O)c1cc(-c2cccnc2)nc2c1c(C)nn2-c1ccccc1)=C\c1ccccc1.
What is the InChIKey of 3-methyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1-phenyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is KMFWGHZDMJGOEA-LINOLGOLSA-N. The full InChI is InChI=1S/C29H24N6O/c1-20(16-22-10-5-3-6-11-22)18-31-33-29(36)25-17-26(23-12-9-15-30-19-23)32-28-27(25)21(2)34-35(28)24-13-7-4-8-14-24/h3-19H,1-2H3,(H,33,36)/b20-16+,31-18+.
What are the key properties of 3-methyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1-phenyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
3-methyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1-phenyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 472.55 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1-phenyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 6903349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).