3-(6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-5-yl)-N-propan-2-ylprop-2-enamide

C15H20N4O2 — CID 154770693

IUPAC3-(6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-5-yl)-N-propan-2-ylprop-2-enamide
SMILESCC(C)NC(=O)C=Cc1cc2cnn(C(C)C)c2[nH]c1=O
InChIInChI=1S/C15H20N4O2/c1-9(2)17-13(20)6-5-11-7-12-8-16-19(10(3)4)14(12)18-15(11)21/h5-10H,1-4H3,(H,17,20)(H,18,21)
InChIKeyGQGSHVMFZWZARL-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.84
Rot. Bonds4

About 3-(6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-5-yl)-N-propan-2-ylprop-2-enamide

3-(6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-5-yl)-N-propan-2-ylprop-2-enamide (PubChem CID 154770693) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-(6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-5-yl)-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name3-(6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-5-yl)-N-propan-2-ylprop-2-enamide
PubChem CID154770693
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-(6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-5-yl)-N-propan-2-ylprop-2-enamide
SMILESCC(C)NC(=O)C=Cc1cc2cnn(C(C)C)c2[nH]c1=O
InChIInChI=1S/C15H20N4O2/c1-9(2)17-13(20)6-5-11-7-12-8-16-19(10(3)4)14(12)18-15(11)21/h5-10H,1-4H3,(H,17,20)(H,18,21)
InChIKeyGQGSHVMFZWZARL-UHFFFAOYSA-N
XLogP1.84
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-5-yl)-N-propan-2-ylprop-2-enamide?
The IUPAC name of 3-(6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-5-yl)-N-propan-2-ylprop-2-enamide (CID 154770693) is 3-(6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-5-yl)-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for 3-(6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-5-yl)-N-propan-2-ylprop-2-enamide?
The canonical SMILES for 3-(6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-5-yl)-N-propan-2-ylprop-2-enamide is CC(C)NC(=O)C=Cc1cc2cnn(C(C)C)c2[nH]c1=O.
What is the InChIKey of 3-(6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-5-yl)-N-propan-2-ylprop-2-enamide?
The InChIKey is GQGSHVMFZWZARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-9(2)17-13(20)6-5-11-7-12-8-16-19(10(3)4)14(12)18-15(11)21/h5-10H,1-4H3,(H,17,20)(H,18,21).
What are the key properties of 3-(6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-5-yl)-N-propan-2-ylprop-2-enamide?
3-(6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-5-yl)-N-propan-2-ylprop-2-enamide has a molecular weight of 288.35 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-5-yl)-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 154770693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).