4-(2-methoxyanilino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide

C16H17N5O2 — CID 11301381

IUPAC4-(2-methoxyanilino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1ccccc1Nc1c(C(N)=O)cnc2c1c(C)nn2C
InChIInChI=1S/C16H17N5O2/c1-9-13-14(19-11-6-4-5-7-12(11)23-3)10(15(17)22)8-18-16(13)21(2)20-9/h4-8H,1-3H3,(H2,17,22)(H,18,19)
InChIKeyDZODJYSTBGCNLF-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.13
Rot. Bonds4

About 4-(2-methoxyanilino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide

4-(2-methoxyanilino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 11301381) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 4-(2-methoxyanilino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyanilino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID11301381
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name4-(2-methoxyanilino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1ccccc1Nc1c(C(N)=O)cnc2c1c(C)nn2C
InChIInChI=1S/C16H17N5O2/c1-9-13-14(19-11-6-4-5-7-12(11)23-3)10(15(17)22)8-18-16(13)21(2)20-9/h4-8H,1-3H3,(H2,17,22)(H,18,19)
InChIKeyDZODJYSTBGCNLF-UHFFFAOYSA-N
XLogP2.13
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyanilino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-(2-methoxyanilino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 11301381) is 4-(2-methoxyanilino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-(2-methoxyanilino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-(2-methoxyanilino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide is COc1ccccc1Nc1c(C(N)=O)cnc2c1c(C)nn2C.
What is the InChIKey of 4-(2-methoxyanilino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is DZODJYSTBGCNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-9-13-14(19-11-6-4-5-7-12(11)23-3)10(15(17)22)8-18-16(13)21(2)20-9/h4-8H,1-3H3,(H2,17,22)(H,18,19).
What are the key properties of 4-(2-methoxyanilino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
4-(2-methoxyanilino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyanilino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 11301381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).