6-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C22H26N4O3 — CID 9466114

IUPAC6-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1OC
InChIInChI=1S/C22H26N4O3/c1-13(2)26-21-17(12-24-26)16(10-18(25-21)15-6-7-15)22(27)23-11-14-5-8-19(28-3)20(9-14)29-4/h5,8-10,12-13,15H,6-7,11H2,1-4H3,(H,23,27)
InChIKeyVZTABVGZOMGCJN-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.84
Rot. Bonds7

About 6-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 9466114) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 6-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID9466114
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name6-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1OC
InChIInChI=1S/C22H26N4O3/c1-13(2)26-21-17(12-24-26)16(10-18(25-21)15-6-7-15)22(27)23-11-14-5-8-19(28-3)20(9-14)29-4/h5,8-10,12-13,15H,6-7,11H2,1-4H3,(H,23,27)
InChIKeyVZTABVGZOMGCJN-UHFFFAOYSA-N
XLogP3.84
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 9466114) is 6-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is COc1ccc(CNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1OC.
What is the InChIKey of 6-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is VZTABVGZOMGCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-13(2)26-21-17(12-24-26)16(10-18(25-21)15-6-7-15)22(27)23-11-14-5-8-19(28-3)20(9-14)29-4/h5,8-10,12-13,15H,6-7,11H2,1-4H3,(H,23,27).
What are the key properties of 6-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 9466114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).