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

C18H15N5O2 — CID 31118393

IUPAC1-benzyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1cc(NC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)no1
InChIInChI=1S/C18H15N5O2/c1-12-7-16(22-25-12)21-18(24)15-8-14-10-20-23(17(14)19-9-15)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,21,22,24)
InChIKeyWDNOTRXGAHVVCI-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.03
Rot. Bonds4

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

1-benzyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 31118393) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 1-benzyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID31118393
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name1-benzyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1cc(NC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)no1
InChIInChI=1S/C18H15N5O2/c1-12-7-16(22-25-12)21-18(24)15-8-14-10-20-23(17(14)19-9-15)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,21,22,24)
InChIKeyWDNOTRXGAHVVCI-UHFFFAOYSA-N
XLogP3.03
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-benzyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 31118393) is 1-benzyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-benzyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-benzyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[3,4-b]pyridine-5-carboxamide is Cc1cc(NC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)no1.
What is the InChIKey of 1-benzyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is WDNOTRXGAHVVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-12-7-16(22-25-12)21-18(24)15-8-14-10-20-23(17(14)19-9-15)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,21,22,24).
What are the key properties of 1-benzyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
1-benzyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 333.35 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 31118393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).