4-amino-3-methyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)butanamide

C14H21N5O — CID 81087136

IUPAC4-amino-3-methyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)butanamide
SMILESCC(CN)CC(=O)Nc1cnc2c(cnn2C(C)C)c1
InChIInChI=1S/C14H21N5O/c1-9(2)19-14-11(7-17-19)5-12(8-16-14)18-13(20)4-10(3)6-15/h5,7-10H,4,6,15H2,1-3H3,(H,18,20)
InChIKeyKGZGGLOKLWKXHO-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.94
Rot. Bonds5

About 4-amino-3-methyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)butanamide

4-amino-3-methyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)butanamide (PubChem CID 81087136) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 4-amino-3-methyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)butanamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)butanamide
PubChem CID81087136
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name4-amino-3-methyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)butanamide
SMILESCC(CN)CC(=O)Nc1cnc2c(cnn2C(C)C)c1
InChIInChI=1S/C14H21N5O/c1-9(2)19-14-11(7-17-19)5-12(8-16-14)18-13(20)4-10(3)6-15/h5,7-10H,4,6,15H2,1-3H3,(H,18,20)
InChIKeyKGZGGLOKLWKXHO-UHFFFAOYSA-N
XLogP1.94
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)butanamide?
The IUPAC name of 4-amino-3-methyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)butanamide (CID 81087136) is 4-amino-3-methyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)butanamide.
What is the SMILES notation for 4-amino-3-methyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)butanamide?
The canonical SMILES for 4-amino-3-methyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)butanamide is CC(CN)CC(=O)Nc1cnc2c(cnn2C(C)C)c1.
What is the InChIKey of 4-amino-3-methyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)butanamide?
The InChIKey is KGZGGLOKLWKXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-9(2)19-14-11(7-17-19)5-12(8-16-14)18-13(20)4-10(3)6-15/h5,7-10H,4,6,15H2,1-3H3,(H,18,20).
What are the key properties of 4-amino-3-methyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)butanamide?
4-amino-3-methyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)butanamide has a molecular weight of 275.36 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)butanamide is sourced from PubChem (CID 81087136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).