1,3-dimethyl-6-phenyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide

C25H21N5O2 — CID 154806949

IUPAC1,3-dimethyl-6-phenyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NCc3coc(-c4ccccc4)n3)c12
InChIInChI=1S/C25H21N5O2/c1-16-22-20(13-21(17-9-5-3-6-10-17)28-23(22)30(2)29-16)24(31)26-14-19-15-32-25(27-19)18-11-7-4-8-12-18/h3-13,15H,14H2,1-2H3,(H,26,31)
InChIKeyHNDXJOFSDFPCPJ-UHFFFAOYSA-N
MW423.48 g/mol
LogP4.53
Rot. Bonds5

About 1,3-dimethyl-6-phenyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide

1,3-dimethyl-6-phenyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 154806949) has the molecular formula C25H21N5O2 and a molecular weight of 423.48 g/mol. Its IUPAC name is 1,3-dimethyl-6-phenyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-6-phenyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID154806949
Molecular FormulaC25H21N5O2
Molecular Weight423.48 g/mol
Exact Mass423.17
IUPAC Name1,3-dimethyl-6-phenyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NCc3coc(-c4ccccc4)n3)c12
InChIInChI=1S/C25H21N5O2/c1-16-22-20(13-21(17-9-5-3-6-10-17)28-23(22)30(2)29-16)24(31)26-14-19-15-32-25(27-19)18-11-7-4-8-12-18/h3-13,15H,14H2,1-2H3,(H,26,31)
InChIKeyHNDXJOFSDFPCPJ-UHFFFAOYSA-N
XLogP4.53
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-6-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 36714359
1,3-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 48733516
N-(2-hydroxyethyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 56763090
6-cyclopropyl-1,3-dimethyl-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 166183089
1,3-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55500586
N-(2-amino-2-ethylbutyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119641473
1,3-dimethyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55586897
N-(3-amino-2-methylpropyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119997751
1,3-dimethyl-N-(4-morpholin-4-ylbutyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55811199
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 71753941
1,3-dimethyl-6-phenyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55783589
N-[2-(4-methoxyphenoxy)ethyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46442920

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-phenyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1,3-dimethyl-6-phenyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 154806949) is 1,3-dimethyl-6-phenyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-6-phenyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-6-phenyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NCc3coc(-c4ccccc4)n3)c12.
What is the InChIKey of 1,3-dimethyl-6-phenyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is HNDXJOFSDFPCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2/c1-16-22-20(13-21(17-9-5-3-6-10-17)28-23(22)30(2)29-16)24(31)26-14-19-15-32-25(27-19)18-11-7-4-8-12-18/h3-13,15H,14H2,1-2H3,(H,26,31).
What are the key properties of 1,3-dimethyl-6-phenyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
1,3-dimethyl-6-phenyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 423.48 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-phenyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 154806949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).