N-ethyl-N-(2-methylprop-2-enyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C22H26N4O — CID 29496253

IUPACN-ethyl-N-(2-methylprop-2-enyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESC=C(C)CN(CC)C(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C
InChIInChI=1S/C22H26N4O/c1-6-25(14-15(2)3)22(27)18-12-20(17-10-8-7-9-11-17)24-21-19(18)13-23-26(21)16(4)5/h7-13,16H,2,6,14H2,1,3-5H3
InChIKeyIPXCZMIMOPLODT-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.72
Rot. Bonds6

About N-ethyl-N-(2-methylprop-2-enyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-ethyl-N-(2-methylprop-2-enyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 29496253) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-ethyl-N-(2-methylprop-2-enyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylprop-2-enyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID29496253
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-ethyl-N-(2-methylprop-2-enyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESC=C(C)CN(CC)C(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C
InChIInChI=1S/C22H26N4O/c1-6-25(14-15(2)3)22(27)18-12-20(17-10-8-7-9-11-17)24-21-19(18)13-23-26(21)16(4)5/h7-13,16H,2,6,14H2,1,3-5H3
InChIKeyIPXCZMIMOPLODT-UHFFFAOYSA-N
XLogP4.72
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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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
1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)ethanone
CID 59373559
3-[(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-propan-2-ylamino]propanoic acid
CID 120519941
6-phenyl-1-propan-2-yl-N-propyl-N-(2-pyridin-2-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 47081200
2-oxopropyl 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 8897790
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
N-butan-2-yl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46689566
propan-2-yl 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46538389
N-butan-2-yl-N-methyl-6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55589524
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 31849649
N-(3-aminobutyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119497417

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 29496253) is N-ethyl-N-(2-methylprop-2-enyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-methylprop-2-enyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-ethyl-N-(2-methylprop-2-enyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is C=C(C)CN(CC)C(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C.
What is the InChIKey of N-ethyl-N-(2-methylprop-2-enyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is IPXCZMIMOPLODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-6-25(14-15(2)3)22(27)18-12-20(17-10-8-7-9-11-17)24-21-19(18)13-23-26(21)16(4)5/h7-13,16H,2,6,14H2,1,3-5H3.
What are the key properties of N-ethyl-N-(2-methylprop-2-enyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-ethyl-N-(2-methylprop-2-enyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylprop-2-enyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 29496253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).