4-[3-[1-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperidin-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one

C23H26N6O3 — CID 167926584

IUPAC4-[3-[1-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperidin-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1cc[nH]c(=O)c1)N1CCCC(C2CCCCN2C(=O)c2cccn3cnnc23)C1
InChIInChI=1S/C23H26N6O3/c30-20-13-16(8-9-24-20)22(31)27-10-3-5-17(14-27)19-7-1-2-12-29(19)23(32)18-6-4-11-28-15-25-26-21(18)28/h4,6,8-9,11,13,15,17,19H,1-3,5,7,10,12,14H2,(H,24,30)
InChIKeyUQAZYWQYTMNJEA-UHFFFAOYSA-N
MW434.50 g/mol
LogP1.96
Rot. Bonds3

About 4-[3-[1-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperidin-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one

4-[3-[1-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperidin-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 167926584) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is 4-[3-[1-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperidin-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[3-[1-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperidin-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID167926584
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC Name4-[3-[1-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperidin-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1cc[nH]c(=O)c1)N1CCCC(C2CCCCN2C(=O)c2cccn3cnnc23)C1
InChIInChI=1S/C23H26N6O3/c30-20-13-16(8-9-24-20)22(31)27-10-3-5-17(14-27)19-7-1-2-12-29(19)23(32)18-6-4-11-28-15-25-26-21(18)28/h4,6,8-9,11,13,15,17,19H,1-3,5,7,10,12,14H2,(H,24,30)
InChIKeyUQAZYWQYTMNJEA-UHFFFAOYSA-N
XLogP1.96
TPSA103.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperidin-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 4-[3-[1-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperidin-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one (CID 167926584) is 4-[3-[1-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperidin-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[3-[1-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperidin-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[3-[1-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperidin-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one is O=C(c1cc[nH]c(=O)c1)N1CCCC(C2CCCCN2C(=O)c2cccn3cnnc23)C1.
What is the InChIKey of 4-[3-[1-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperidin-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is UQAZYWQYTMNJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3/c30-20-13-16(8-9-24-20)22(31)27-10-3-5-17(14-27)19-7-1-2-12-29(19)23(32)18-6-4-11-28-15-25-26-21(18)28/h4,6,8-9,11,13,15,17,19H,1-3,5,7,10,12,14H2,(H,24,30).
What are the key properties of 4-[3-[1-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperidin-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?
4-[3-[1-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperidin-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 434.50 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperidin-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 167926584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).