1-benzyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-b]pyridine-5-carboxamide

C22H17N5O2 — CID 24622636

IUPAC1-benzyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nc2cc(NC(=O)c3cnc4c(cnn4Cc4ccccc4)c3)ccc2o1
InChIInChI=1S/C22H17N5O2/c1-14-25-19-10-18(7-8-20(19)29-14)26-22(28)17-9-16-12-24-27(21(16)23-11-17)13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,26,28)
InChIKeyTYISXLKUFOMSML-UHFFFAOYSA-N
MW383.41 g/mol
LogP4.18
Rot. Bonds4

About 1-benzyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-b]pyridine-5-carboxamide

1-benzyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 24622636) has the molecular formula C22H17N5O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is 1-benzyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID24622636
Molecular FormulaC22H17N5O2
Molecular Weight383.41 g/mol
Exact Mass383.14
IUPAC Name1-benzyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nc2cc(NC(=O)c3cnc4c(cnn4Cc4ccccc4)c3)ccc2o1
InChIInChI=1S/C22H17N5O2/c1-14-25-19-10-18(7-8-20(19)29-14)26-22(28)17-9-16-12-24-27(21(16)23-11-17)13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,26,28)
InChIKeyTYISXLKUFOMSML-UHFFFAOYSA-N
XLogP4.18
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-N-(3-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 24624200
N-(2-methyl-1,3-benzoxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 17462153
1-benzyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 32607487
1-benzyl-N-[4-(dimethylsulfamoyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 78836743
1-benzyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 43042463
1-benzyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 24622914
3-benzyl-N-(2-methyl-1,3-benzoxazol-5-yl)-4-oxophthalazine-1-carboxamide
CID 26683215
5,6-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 60655081
N-(2-methyl-1,3-benzoxazol-5-yl)-4-phenylmethoxybenzamide
CID 35591328
1-benzyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 24624581
1-benzyl-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 78891757
1-benzyl-N-(4,5-dimethoxy-2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 24624443

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-benzyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 24622636) is 1-benzyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nc2cc(NC(=O)c3cnc4c(cnn4Cc4ccccc4)c3)ccc2o1.
What is the InChIKey of 1-benzyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is TYISXLKUFOMSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2/c1-14-25-19-10-18(7-8-20(19)29-14)26-22(28)17-9-16-12-24-27(21(16)23-11-17)13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,26,28).
What are the key properties of 1-benzyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
1-benzyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 383.41 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 24622636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).