N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C25H22N6O2 — CID 55700434

IUPACN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nc(-c2ccccc2NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)no1
InChIInChI=1S/C25H22N6O2/c1-15(2)31-24-20(14-26-31)19(13-22(28-24)17-9-5-4-6-10-17)25(32)29-21-12-8-7-11-18(21)23-27-16(3)33-30-23/h4-15H,1-3H3,(H,29,32)
InChIKeyYTQTYIFCCZISOM-UHFFFAOYSA-N
MW438.49 g/mol
LogP5.29
Rot. Bonds5

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

N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55700434) has the molecular formula C25H22N6O2 and a molecular weight of 438.49 g/mol. Its IUPAC name is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55700434
Molecular FormulaC25H22N6O2
Molecular Weight438.49 g/mol
Exact Mass438.18
IUPAC NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nc(-c2ccccc2NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)no1
InChIInChI=1S/C25H22N6O2/c1-15(2)31-24-20(14-26-31)19(13-22(28-24)17-9-5-4-6-10-17)25(32)29-21-12-8-7-11-18(21)23-27-16(3)33-30-23/h4-15H,1-3H3,(H,29,32)
InChIKeyYTQTYIFCCZISOM-UHFFFAOYSA-N
XLogP5.29
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.49
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55700281
6-(furan-2-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55700407
6-(4-methylphenyl)-N-(2-phenylpyrimidin-5-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 139015894
N-(2-methyl-1,3-benzoxazol-5-yl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 9490450
methyl 2-hydroxy-3-[(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate
CID 56543253
6-(4-methylphenyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 146081561
1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)ethanone
CID 59373559
6-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 27991476
N-(4-carbamoyl-3-methylphenyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 56517165
3-methyl-2-[(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid
CID 119348382
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55700434) is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nc(-c2ccccc2NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)no1.
What is the InChIKey of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is YTQTYIFCCZISOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O2/c1-15(2)31-24-20(14-26-31)19(13-22(28-24)17-9-5-4-6-10-17)25(32)29-21-12-8-7-11-18(21)23-27-16(3)33-30-23/h4-15H,1-3H3,(H,29,32).
What are the key properties of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 438.49 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55700434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).