6-(1,5-dimethylpyrazol-4-yl)-3-methyl-N-[(E)-1-(2-methylpyrazol-3-yl)ethylideneamino]-1-propylpyrazolo[5,4-b]pyridine-4-carboxamide

C22H27N9O — CID 19588413

IUPAC6-(1,5-dimethylpyrazol-4-yl)-3-methyl-N-[(E)-1-(2-methylpyrazol-3-yl)ethylideneamino]-1-propylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCn1nc(C)c2c(C(=O)N/N=C(\C)c3ccnn3C)cc(-c3cnn(C)c3C)nc21
InChIInChI=1S/C22H27N9O/c1-7-10-31-21-20(14(3)28-31)16(11-18(25-21)17-12-24-29(5)15(17)4)22(32)27-26-13(2)19-8-9-23-30(19)6/h8-9,11-12H,7,10H2,1-6H3,(H,27,32)/b26-13+
InChIKeySZOWFDBMHZNRNH-LGJNPRDNSA-N
MW433.52 g/mol
LogP2.75
Rot. Bonds6

About 6-(1,5-dimethylpyrazol-4-yl)-3-methyl-N-[(E)-1-(2-methylpyrazol-3-yl)ethylideneamino]-1-propylpyrazolo[5,4-b]pyridine-4-carboxamide

6-(1,5-dimethylpyrazol-4-yl)-3-methyl-N-[(E)-1-(2-methylpyrazol-3-yl)ethylideneamino]-1-propylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 19588413) has the molecular formula C22H27N9O and a molecular weight of 433.52 g/mol. Its IUPAC name is 6-(1,5-dimethylpyrazol-4-yl)-3-methyl-N-[(E)-1-(2-methylpyrazol-3-yl)ethylideneamino]-1-propylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(1,5-dimethylpyrazol-4-yl)-3-methyl-N-[(E)-1-(2-methylpyrazol-3-yl)ethylideneamino]-1-propylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID19588413
Molecular FormulaC22H27N9O
Molecular Weight433.52 g/mol
Exact Mass433.23
IUPAC Name6-(1,5-dimethylpyrazol-4-yl)-3-methyl-N-[(E)-1-(2-methylpyrazol-3-yl)ethylideneamino]-1-propylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCn1nc(C)c2c(C(=O)N/N=C(\C)c3ccnn3C)cc(-c3cnn(C)c3C)nc21
InChIInChI=1S/C22H27N9O/c1-7-10-31-21-20(14(3)28-31)16(11-18(25-21)17-12-24-29(5)15(17)4)22(32)27-26-13(2)19-8-9-23-30(19)6/h8-9,11-12H,7,10H2,1-6H3,(H,27,32)/b26-13+
InChIKeySZOWFDBMHZNRNH-LGJNPRDNSA-N
XLogP2.75
TPSA107.81 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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 6-(1,5-dimethylpyrazol-4-yl)-3-methyl-N-[(E)-1-(2-methylpyrazol-3-yl)ethylideneamino]-1-propylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(1,5-dimethylpyrazol-4-yl)-3-methyl-N-[(E)-1-(2-methylpyrazol-3-yl)ethylideneamino]-1-propylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 19588413) is 6-(1,5-dimethylpyrazol-4-yl)-3-methyl-N-[(E)-1-(2-methylpyrazol-3-yl)ethylideneamino]-1-propylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(1,5-dimethylpyrazol-4-yl)-3-methyl-N-[(E)-1-(2-methylpyrazol-3-yl)ethylideneamino]-1-propylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(1,5-dimethylpyrazol-4-yl)-3-methyl-N-[(E)-1-(2-methylpyrazol-3-yl)ethylideneamino]-1-propylpyrazolo[5,4-b]pyridine-4-carboxamide is CCCn1nc(C)c2c(C(=O)N/N=C(\C)c3ccnn3C)cc(-c3cnn(C)c3C)nc21.
What is the InChIKey of 6-(1,5-dimethylpyrazol-4-yl)-3-methyl-N-[(E)-1-(2-methylpyrazol-3-yl)ethylideneamino]-1-propylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is SZOWFDBMHZNRNH-LGJNPRDNSA-N. The full InChI is InChI=1S/C22H27N9O/c1-7-10-31-21-20(14(3)28-31)16(11-18(25-21)17-12-24-29(5)15(17)4)22(32)27-26-13(2)19-8-9-23-30(19)6/h8-9,11-12H,7,10H2,1-6H3,(H,27,32)/b26-13+.
What are the key properties of 6-(1,5-dimethylpyrazol-4-yl)-3-methyl-N-[(E)-1-(2-methylpyrazol-3-yl)ethylideneamino]-1-propylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-(1,5-dimethylpyrazol-4-yl)-3-methyl-N-[(E)-1-(2-methylpyrazol-3-yl)ethylideneamino]-1-propylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 433.52 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,5-dimethylpyrazol-4-yl)-3-methyl-N-[(E)-1-(2-methylpyrazol-3-yl)ethylideneamino]-1-propylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 19588413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).