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

C14H17N5O2 — CID 174183211

IUPAC1-[7-(2-aminopropyl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
SMILESCC(N)Cc1ccn2c(N3CCC(=O)NC3=O)cnc2c1
InChIInChI=1S/C14H17N5O2/c1-9(15)6-10-2-4-18-11(7-10)16-8-13(18)19-5-3-12(20)17-14(19)21/h2,4,7-9H,3,5-6,15H2,1H3,(H,17,20,21)
InChIKeyDTOVNVXGEONLGK-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.67
Rot. Bonds3

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

1-[7-(2-aminopropyl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 174183211) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-[7-(2-aminopropyl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[7-(2-aminopropyl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
PubChem CID174183211
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name1-[7-(2-aminopropyl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
SMILESCC(N)Cc1ccn2c(N3CCC(=O)NC3=O)cnc2c1
InChIInChI=1S/C14H17N5O2/c1-9(15)6-10-2-4-18-11(7-10)16-8-13(18)19-5-3-12(20)17-14(19)21/h2,4,7-9H,3,5-6,15H2,1H3,(H,17,20,21)
InChIKeyDTOVNVXGEONLGK-UHFFFAOYSA-N
XLogP0.67
TPSA92.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(2-aminopropyl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[7-(2-aminopropyl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione (CID 174183211) is 1-[7-(2-aminopropyl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[7-(2-aminopropyl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[7-(2-aminopropyl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione is CC(N)Cc1ccn2c(N3CCC(=O)NC3=O)cnc2c1.
What is the InChIKey of 1-[7-(2-aminopropyl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?
The InChIKey is DTOVNVXGEONLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-9(15)6-10-2-4-18-11(7-10)16-8-13(18)19-5-3-12(20)17-14(19)21/h2,4,7-9H,3,5-6,15H2,1H3,(H,17,20,21).
What are the key properties of 1-[7-(2-aminopropyl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?
1-[7-(2-aminopropyl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 287.32 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(2-aminopropyl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 174183211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).