6-methyl-N-(1-methylpyrrolidin-3-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

C16H23N5O — CID 166627546

IUPAC6-methyl-N-(1-methylpyrrolidin-3-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCN(C)C2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C16H23N5O/c1-10(2)21-15-14(8-17-21)13(7-11(3)18-15)16(22)19-12-5-6-20(4)9-12/h7-8,10,12H,5-6,9H2,1-4H3,(H,19,22)
InChIKeyCRPYKUJSWLPXFM-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.75
Rot. Bonds3

About 6-methyl-N-(1-methylpyrrolidin-3-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

6-methyl-N-(1-methylpyrrolidin-3-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 166627546) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 6-methyl-N-(1-methylpyrrolidin-3-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(1-methylpyrrolidin-3-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID166627546
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name6-methyl-N-(1-methylpyrrolidin-3-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCN(C)C2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C16H23N5O/c1-10(2)21-15-14(8-17-21)13(7-11(3)18-15)16(22)19-12-5-6-20(4)9-12/h7-8,10,12H,5-6,9H2,1-4H3,(H,19,22)
InChIKeyCRPYKUJSWLPXFM-UHFFFAOYSA-N
XLogP1.75
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(1-methylpyrrolidin-3-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-methyl-N-(1-methylpyrrolidin-3-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 166627546) is 6-methyl-N-(1-methylpyrrolidin-3-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-methyl-N-(1-methylpyrrolidin-3-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-methyl-N-(1-methylpyrrolidin-3-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NC2CCN(C)C2)c2cnn(C(C)C)c2n1.
What is the InChIKey of 6-methyl-N-(1-methylpyrrolidin-3-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is CRPYKUJSWLPXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-10(2)21-15-14(8-17-21)13(7-11(3)18-15)16(22)19-12-5-6-20(4)9-12/h7-8,10,12H,5-6,9H2,1-4H3,(H,19,22).
What are the key properties of 6-methyl-N-(1-methylpyrrolidin-3-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
6-methyl-N-(1-methylpyrrolidin-3-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(1-methylpyrrolidin-3-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 166627546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).