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

C25H21N5O3 — CID 44822673

IUPAC6-(3-methoxyphenyl)-1,3-dimethyl-N-[4-(1,2-oxazol-5-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccno4)cc3)c3c(C)nn(C)c3n2)c1
InChIInChI=1S/C25H21N5O3/c1-15-23-20(25(31)27-18-9-7-16(8-10-18)22-11-12-26-33-22)14-21(28-24(23)30(2)29-15)17-5-4-6-19(13-17)32-3/h4-14H,1-3H3,(H,27,31)
InChIKeyLVBPHXLCCAKIFC-UHFFFAOYSA-N
MW439.48 g/mol
LogP4.86
Rot. Bonds5

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

6-(3-methoxyphenyl)-1,3-dimethyl-N-[4-(1,2-oxazol-5-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44822673) has the molecular formula C25H21N5O3 and a molecular weight of 439.48 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-1,3-dimethyl-N-[4-(1,2-oxazol-5-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-1,3-dimethyl-N-[4-(1,2-oxazol-5-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44822673
Molecular FormulaC25H21N5O3
Molecular Weight439.48 g/mol
Exact Mass439.16
IUPAC Name6-(3-methoxyphenyl)-1,3-dimethyl-N-[4-(1,2-oxazol-5-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccno4)cc3)c3c(C)nn(C)c3n2)c1
InChIInChI=1S/C25H21N5O3/c1-15-23-20(25(31)27-18-9-7-16(8-10-18)22-11-12-26-33-22)14-21(28-24(23)30(2)29-15)17-5-4-6-19(13-17)32-3/h4-14H,1-3H3,(H,27,31)
InChIKeyLVBPHXLCCAKIFC-UHFFFAOYSA-N
XLogP4.86
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(furan-2-yl)-1,3-dimethyl-N-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 16609317
1,3-dimethyl-N-[4-(4-methylpyrimidin-2-yl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 166207441
N-(2,5-dimethylphenyl)-6-(4-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44821562
N-[1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-6-(3-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44822123
N-[3-[(2-methoxyacetyl)amino]phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 36524540
N-[4-(cyclopropanecarbonylamino)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 26064895
N-[(1R)-1-(1-ethylpyrazol-3-yl)ethyl]-6-(3-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 51854181
methyl 1,3-dimethyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 25247922
N-(3-chlorophenyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 166199194
6-(furan-2-yl)-1,3-dimethyl-N-[4-(methylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 16622390
1,3-dimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16606126
6-(furan-2-yl)-1,3-dimethyl-N-(4-methylsulfonylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 24627205

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-1,3-dimethyl-N-[4-(1,2-oxazol-5-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(3-methoxyphenyl)-1,3-dimethyl-N-[4-(1,2-oxazol-5-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 44822673) is 6-(3-methoxyphenyl)-1,3-dimethyl-N-[4-(1,2-oxazol-5-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(3-methoxyphenyl)-1,3-dimethyl-N-[4-(1,2-oxazol-5-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(3-methoxyphenyl)-1,3-dimethyl-N-[4-(1,2-oxazol-5-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide is COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccno4)cc3)c3c(C)nn(C)c3n2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-1,3-dimethyl-N-[4-(1,2-oxazol-5-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is LVBPHXLCCAKIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O3/c1-15-23-20(25(31)27-18-9-7-16(8-10-18)22-11-12-26-33-22)14-21(28-24(23)30(2)29-15)17-5-4-6-19(13-17)32-3/h4-14H,1-3H3,(H,27,31).
What are the key properties of 6-(3-methoxyphenyl)-1,3-dimethyl-N-[4-(1,2-oxazol-5-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
6-(3-methoxyphenyl)-1,3-dimethyl-N-[4-(1,2-oxazol-5-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 439.48 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-1,3-dimethyl-N-[4-(1,2-oxazol-5-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44822673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).