1-[7-(4-oxopiperidin-1-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione

C16H17N5O3 — CID 170749696

IUPAC1-[7-(4-oxopiperidin-1-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccn3c(N4CCC(=O)NC4=O)cnc3c2)CC1
InChIInChI=1S/C16H17N5O3/c22-12-2-5-19(6-3-12)11-1-7-20-13(9-11)17-10-15(20)21-8-4-14(23)18-16(21)24/h1,7,9-10H,2-6,8H2,(H,18,23,24)
InChIKeyFUFQUKJOTXWEAM-UHFFFAOYSA-N
MW327.34 g/mol
LogP0.95
Rot. Bonds2

About 1-[7-(4-oxopiperidin-1-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione

1-[7-(4-oxopiperidin-1-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 170749696) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is 1-[7-(4-oxopiperidin-1-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[7-(4-oxopiperidin-1-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
PubChem CID170749696
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name1-[7-(4-oxopiperidin-1-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccn3c(N4CCC(=O)NC4=O)cnc3c2)CC1
InChIInChI=1S/C16H17N5O3/c22-12-2-5-19(6-3-12)11-1-7-20-13(9-11)17-10-15(20)21-8-4-14(23)18-16(21)24/h1,7,9-10H,2-6,8H2,(H,18,23,24)
InChIKeyFUFQUKJOTXWEAM-UHFFFAOYSA-N
XLogP0.95
TPSA87.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(4-oxopiperidin-1-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[7-(4-oxopiperidin-1-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione (CID 170749696) is 1-[7-(4-oxopiperidin-1-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[7-(4-oxopiperidin-1-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[7-(4-oxopiperidin-1-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione is O=C1CCN(c2ccn3c(N4CCC(=O)NC4=O)cnc3c2)CC1.
What is the InChIKey of 1-[7-(4-oxopiperidin-1-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?
The InChIKey is FUFQUKJOTXWEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c22-12-2-5-19(6-3-12)11-1-7-20-13(9-11)17-10-15(20)21-8-4-14(23)18-16(21)24/h1,7,9-10H,2-6,8H2,(H,18,23,24).
What are the key properties of 1-[7-(4-oxopiperidin-1-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?
1-[7-(4-oxopiperidin-1-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 327.34 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(4-oxopiperidin-1-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 170749696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).