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

C22H28N4O — CID 55589524

IUPACN-butan-2-yl-N-methyl-6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCC(C)N(C)C(=O)c1cc(-c2ccc(C)cc2)nc2c1cnn2C(C)C
InChIInChI=1S/C22H28N4O/c1-7-16(5)25(6)22(27)18-12-20(17-10-8-15(4)9-11-17)24-21-19(18)13-23-26(21)14(2)3/h8-14,16H,7H2,1-6H3
InChIKeyXHISGFVMTDWGOS-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.86
Rot. Bonds5

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

N-butan-2-yl-N-methyl-6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55589524) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is N-butan-2-yl-N-methyl-6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-N-methyl-6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55589524
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC NameN-butan-2-yl-N-methyl-6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCC(C)N(C)C(=O)c1cc(-c2ccc(C)cc2)nc2c1cnn2C(C)C
InChIInChI=1S/C22H28N4O/c1-7-16(5)25(6)22(27)18-12-20(17-10-8-15(4)9-11-17)24-21-19(18)13-23-26(21)14(2)3/h8-14,16H,7H2,1-6H3
InChIKeyXHISGFVMTDWGOS-UHFFFAOYSA-N
XLogP4.86
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetic acid
CID 120519811
methyl 6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46693200
[3-[(dimethylamino)methyl]azetidin-1-yl]-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 146107671
[2-oxo-2-(pentan-3-ylamino)ethyl] 6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46693206
N-ethyl-N-(2-methylprop-2-enyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 29496253
1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)ethanone
CID 59373559
N-butan-2-yl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46689566
N-[(2R)-1-amino-1-oxopropan-2-yl]-N-methyl-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 86783261
3-[(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-propan-2-ylamino]propanoic acid
CID 120519941
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 31849649
N-(4-carbamoylphenyl)-N-methyl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55904592
6-phenyl-1-propan-2-yl-N-prop-2-ynylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 27741134

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-methyl-6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-butan-2-yl-N-methyl-6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55589524) is N-butan-2-yl-N-methyl-6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-N-methyl-6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-N-methyl-6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CCC(C)N(C)C(=O)c1cc(-c2ccc(C)cc2)nc2c1cnn2C(C)C.
What is the InChIKey of N-butan-2-yl-N-methyl-6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is XHISGFVMTDWGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-7-16(5)25(6)22(27)18-12-20(17-10-8-15(4)9-11-17)24-21-19(18)13-23-26(21)14(2)3/h8-14,16H,7H2,1-6H3.
What are the key properties of N-butan-2-yl-N-methyl-6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-butan-2-yl-N-methyl-6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-methyl-6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55589524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).