3-but-2-ynyl-2-piperazin-1-yl-5H-imidazo[4,5-c]pyridin-4-one

C14H17N5O — CID 23070613

IUPAC3-but-2-ynyl-2-piperazin-1-yl-5H-imidazo[4,5-c]pyridin-4-one
SMILESCC#CCn1c(N2CCNCC2)nc2cc[nH]c(=O)c21
InChIInChI=1S/C14H17N5O/c1-2-3-8-19-12-11(4-5-16-13(12)20)17-14(19)18-9-6-15-7-10-18/h4-5,15H,6-10H2,1H3,(H,16,20)
InChIKeyFGDUAEWVRVWZJN-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.16
Rot. Bonds2

About 3-but-2-ynyl-2-piperazin-1-yl-5H-imidazo[4,5-c]pyridin-4-one

3-but-2-ynyl-2-piperazin-1-yl-5H-imidazo[4,5-c]pyridin-4-one (PubChem CID 23070613) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-but-2-ynyl-2-piperazin-1-yl-5H-imidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name3-but-2-ynyl-2-piperazin-1-yl-5H-imidazo[4,5-c]pyridin-4-one
PubChem CID23070613
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name3-but-2-ynyl-2-piperazin-1-yl-5H-imidazo[4,5-c]pyridin-4-one
SMILESCC#CCn1c(N2CCNCC2)nc2cc[nH]c(=O)c21
InChIInChI=1S/C14H17N5O/c1-2-3-8-19-12-11(4-5-16-13(12)20)17-14(19)18-9-6-15-7-10-18/h4-5,15H,6-10H2,1H3,(H,16,20)
InChIKeyFGDUAEWVRVWZJN-UHFFFAOYSA-N
XLogP0.16
TPSA65.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-but-2-ynyl-2-piperazin-1-yl-5H-imidazo[4,5-c]pyridin-4-one?
The IUPAC name of 3-but-2-ynyl-2-piperazin-1-yl-5H-imidazo[4,5-c]pyridin-4-one (CID 23070613) is 3-but-2-ynyl-2-piperazin-1-yl-5H-imidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 3-but-2-ynyl-2-piperazin-1-yl-5H-imidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 3-but-2-ynyl-2-piperazin-1-yl-5H-imidazo[4,5-c]pyridin-4-one is CC#CCn1c(N2CCNCC2)nc2cc[nH]c(=O)c21.
What is the InChIKey of 3-but-2-ynyl-2-piperazin-1-yl-5H-imidazo[4,5-c]pyridin-4-one?
The InChIKey is FGDUAEWVRVWZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-2-3-8-19-12-11(4-5-16-13(12)20)17-14(19)18-9-6-15-7-10-18/h4-5,15H,6-10H2,1H3,(H,16,20).
What are the key properties of 3-but-2-ynyl-2-piperazin-1-yl-5H-imidazo[4,5-c]pyridin-4-one?
3-but-2-ynyl-2-piperazin-1-yl-5H-imidazo[4,5-c]pyridin-4-one has a molecular weight of 271.32 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-2-ynyl-2-piperazin-1-yl-5H-imidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 23070613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).