2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-propan-2-ylacetamide

C14H20N4O2 — CID 46395094

IUPAC2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-propan-2-ylacetamide
SMILESCCn1nc(C)c2ccn(CC(=O)NC(C)C)c(=O)c21
InChIInChI=1S/C14H20N4O2/c1-5-18-13-11(10(4)16-18)6-7-17(14(13)20)8-12(19)15-9(2)3/h6-7,9H,5,8H2,1-4H3,(H,15,19)
InChIKeyUMMIVXVQJNFFBU-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.05
Rot. Bonds4

About 2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-propan-2-ylacetamide

2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-propan-2-ylacetamide (PubChem CID 46395094) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-propan-2-ylacetamide
PubChem CID46395094
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-propan-2-ylacetamide
SMILESCCn1nc(C)c2ccn(CC(=O)NC(C)C)c(=O)c21
InChIInChI=1S/C14H20N4O2/c1-5-18-13-11(10(4)16-18)6-7-17(14(13)20)8-12(19)15-9(2)3/h6-7,9H,5,8H2,1-4H3,(H,15,19)
InChIKeyUMMIVXVQJNFFBU-UHFFFAOYSA-N
XLogP1.05
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-propan-2-ylacetamide (CID 46395094) is 2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-propan-2-ylacetamide is CCn1nc(C)c2ccn(CC(=O)NC(C)C)c(=O)c21.
What is the InChIKey of 2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-propan-2-ylacetamide?
The InChIKey is UMMIVXVQJNFFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-5-18-13-11(10(4)16-18)6-7-17(14(13)20)8-12(19)15-9(2)3/h6-7,9H,5,8H2,1-4H3,(H,15,19).
What are the key properties of 2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-propan-2-ylacetamide?
2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-propan-2-ylacetamide has a molecular weight of 276.34 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 46395094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).