3-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-ethylpentanoic acid

C16H22N4O3 — CID 120532576

IUPAC3-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-ethylpentanoic acid
SMILESCCC(CC)(CC(=O)O)NC(=O)c1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C16H22N4O3/c1-5-16(6-2,8-13(21)22)18-15(23)11-7-12-10(3)19-20(4)14(12)17-9-11/h7,9H,5-6,8H2,1-4H3,(H,18,23)(H,21,22)
InChIKeyGHJVBSLXVAHPIT-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.04
Rot. Bonds6

About 3-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-ethylpentanoic acid

3-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-ethylpentanoic acid (PubChem CID 120532576) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-ethylpentanoic acid.

Molecular Properties

Compound Name3-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-ethylpentanoic acid
PubChem CID120532576
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name3-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-ethylpentanoic acid
SMILESCCC(CC)(CC(=O)O)NC(=O)c1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C16H22N4O3/c1-5-16(6-2,8-13(21)22)18-15(23)11-7-12-10(3)19-20(4)14(12)17-9-11/h7,9H,5-6,8H2,1-4H3,(H,18,23)(H,21,22)
InChIKeyGHJVBSLXVAHPIT-UHFFFAOYSA-N
XLogP2.04
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-ethylpentanoic acid?
The IUPAC name of 3-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-ethylpentanoic acid (CID 120532576) is 3-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-ethylpentanoic acid.
What is the SMILES notation for 3-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-ethylpentanoic acid?
The canonical SMILES for 3-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-ethylpentanoic acid is CCC(CC)(CC(=O)O)NC(=O)c1cnc2c(c1)c(C)nn2C.
What is the InChIKey of 3-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-ethylpentanoic acid?
The InChIKey is GHJVBSLXVAHPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-5-16(6-2,8-13(21)22)18-15(23)11-7-12-10(3)19-20(4)14(12)17-9-11/h7,9H,5-6,8H2,1-4H3,(H,18,23)(H,21,22).
What are the key properties of 3-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-ethylpentanoic acid?
3-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-ethylpentanoic acid has a molecular weight of 318.38 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-ethylpentanoic acid is sourced from PubChem (CID 120532576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).