azepan-1-yl-[3-[(1,4-dioxan-2-ylmethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]methanone

C21H30N4O3 — CID 24818890

IUPACazepan-1-yl-[3-[(1,4-dioxan-2-ylmethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]methanone
SMILESCc1ccn2c(CNCC3COCCO3)c(C(=O)N3CCCCCC3)nc2c1
InChIInChI=1S/C21H30N4O3/c1-16-6-9-25-18(14-22-13-17-15-27-10-11-28-17)20(23-19(25)12-16)21(26)24-7-4-2-3-5-8-24/h6,9,12,17,22H,2-5,7-8,10-11,13-15H2,1H3
InChIKeyXPHHCVUEYIPVIJ-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.16
Rot. Bonds5

About azepan-1-yl-[3-[(1,4-dioxan-2-ylmethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]methanone

azepan-1-yl-[3-[(1,4-dioxan-2-ylmethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]methanone (PubChem CID 24818890) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is azepan-1-yl-[3-[(1,4-dioxan-2-ylmethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[3-[(1,4-dioxan-2-ylmethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]methanone
PubChem CID24818890
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Nameazepan-1-yl-[3-[(1,4-dioxan-2-ylmethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]methanone
SMILESCc1ccn2c(CNCC3COCCO3)c(C(=O)N3CCCCCC3)nc2c1
InChIInChI=1S/C21H30N4O3/c1-16-6-9-25-18(14-22-13-17-15-27-10-11-28-17)20(23-19(25)12-16)21(26)24-7-4-2-3-5-8-24/h6,9,12,17,22H,2-5,7-8,10-11,13-15H2,1H3
InChIKeyXPHHCVUEYIPVIJ-UHFFFAOYSA-N
XLogP2.16
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[3-[(1,4-dioxan-2-ylmethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]methanone?
The IUPAC name of azepan-1-yl-[3-[(1,4-dioxan-2-ylmethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]methanone (CID 24818890) is azepan-1-yl-[3-[(1,4-dioxan-2-ylmethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]methanone.
What is the SMILES notation for azepan-1-yl-[3-[(1,4-dioxan-2-ylmethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]methanone?
The canonical SMILES for azepan-1-yl-[3-[(1,4-dioxan-2-ylmethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]methanone is Cc1ccn2c(CNCC3COCCO3)c(C(=O)N3CCCCCC3)nc2c1.
What is the InChIKey of azepan-1-yl-[3-[(1,4-dioxan-2-ylmethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]methanone?
The InChIKey is XPHHCVUEYIPVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-16-6-9-25-18(14-22-13-17-15-27-10-11-28-17)20(23-19(25)12-16)21(26)24-7-4-2-3-5-8-24/h6,9,12,17,22H,2-5,7-8,10-11,13-15H2,1H3.
What are the key properties of azepan-1-yl-[3-[(1,4-dioxan-2-ylmethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]methanone?
azepan-1-yl-[3-[(1,4-dioxan-2-ylmethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]methanone has a molecular weight of 386.50 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[3-[(1,4-dioxan-2-ylmethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]methanone is sourced from PubChem (CID 24818890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).