[7-(piperazine-1-carbonyl)indolizin-5-yl]-pyridin-2-ylmethanone

C19H18N4O2 — CID 170982960

IUPAC[7-(piperazine-1-carbonyl)indolizin-5-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)c1cc(C(=O)N2CCNCC2)cc2cccn12
InChIInChI=1S/C19H18N4O2/c24-18(16-5-1-2-6-21-16)17-13-14(12-15-4-3-9-23(15)17)19(25)22-10-7-20-8-11-22/h1-6,9,12-13,20H,7-8,10-11H2
InChIKeyQXGVXFOWTXWTDV-UHFFFAOYSA-N
MW334.38 g/mol
LogP1.61
Rot. Bonds3

About [7-(piperazine-1-carbonyl)indolizin-5-yl]-pyridin-2-ylmethanone

[7-(piperazine-1-carbonyl)indolizin-5-yl]-pyridin-2-ylmethanone (PubChem CID 170982960) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is [7-(piperazine-1-carbonyl)indolizin-5-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[7-(piperazine-1-carbonyl)indolizin-5-yl]-pyridin-2-ylmethanone
PubChem CID170982960
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name[7-(piperazine-1-carbonyl)indolizin-5-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)c1cc(C(=O)N2CCNCC2)cc2cccn12
InChIInChI=1S/C19H18N4O2/c24-18(16-5-1-2-6-21-16)17-13-14(12-15-4-3-9-23(15)17)19(25)22-10-7-20-8-11-22/h1-6,9,12-13,20H,7-8,10-11H2
InChIKeyQXGVXFOWTXWTDV-UHFFFAOYSA-N
XLogP1.61
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [7-(piperazine-1-carbonyl)indolizin-5-yl]-pyridin-2-ylmethanone?
The IUPAC name of [7-(piperazine-1-carbonyl)indolizin-5-yl]-pyridin-2-ylmethanone (CID 170982960) is [7-(piperazine-1-carbonyl)indolizin-5-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [7-(piperazine-1-carbonyl)indolizin-5-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [7-(piperazine-1-carbonyl)indolizin-5-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)c1cc(C(=O)N2CCNCC2)cc2cccn12.
What is the InChIKey of [7-(piperazine-1-carbonyl)indolizin-5-yl]-pyridin-2-ylmethanone?
The InChIKey is QXGVXFOWTXWTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-18(16-5-1-2-6-21-16)17-13-14(12-15-4-3-9-23(15)17)19(25)22-10-7-20-8-11-22/h1-6,9,12-13,20H,7-8,10-11H2.
What are the key properties of [7-(piperazine-1-carbonyl)indolizin-5-yl]-pyridin-2-ylmethanone?
[7-(piperazine-1-carbonyl)indolizin-5-yl]-pyridin-2-ylmethanone has a molecular weight of 334.38 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(piperazine-1-carbonyl)indolizin-5-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 170982960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).