imidazo[1,2-a]pyridin-7-yl-(4-methyl-1,4-diazepan-1-yl)methanone

C14H18N4O — CID 97237862

IUPACimidazo[1,2-a]pyridin-7-yl-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCN1CCCN(C(=O)c2ccn3ccnc3c2)CC1
InChIInChI=1S/C14H18N4O/c1-16-5-2-6-18(10-9-16)14(19)12-3-7-17-8-4-15-13(17)11-12/h3-4,7-8,11H,2,5-6,9-10H2,1H3
InChIKeyFHSFSQAUKUHATO-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.11
Rot. Bonds1

About imidazo[1,2-a]pyridin-7-yl-(4-methyl-1,4-diazepan-1-yl)methanone

imidazo[1,2-a]pyridin-7-yl-(4-methyl-1,4-diazepan-1-yl)methanone (PubChem CID 97237862) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is imidazo[1,2-a]pyridin-7-yl-(4-methyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Nameimidazo[1,2-a]pyridin-7-yl-(4-methyl-1,4-diazepan-1-yl)methanone
PubChem CID97237862
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Nameimidazo[1,2-a]pyridin-7-yl-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCN1CCCN(C(=O)c2ccn3ccnc3c2)CC1
InChIInChI=1S/C14H18N4O/c1-16-5-2-6-18(10-9-16)14(19)12-3-7-17-8-4-15-13(17)11-12/h3-4,7-8,11H,2,5-6,9-10H2,1H3
InChIKeyFHSFSQAUKUHATO-UHFFFAOYSA-N
XLogP1.11
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyridin-7-yl-(4-methyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of imidazo[1,2-a]pyridin-7-yl-(4-methyl-1,4-diazepan-1-yl)methanone (CID 97237862) is imidazo[1,2-a]pyridin-7-yl-(4-methyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for imidazo[1,2-a]pyridin-7-yl-(4-methyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for imidazo[1,2-a]pyridin-7-yl-(4-methyl-1,4-diazepan-1-yl)methanone is CN1CCCN(C(=O)c2ccn3ccnc3c2)CC1.
What is the InChIKey of imidazo[1,2-a]pyridin-7-yl-(4-methyl-1,4-diazepan-1-yl)methanone?
The InChIKey is FHSFSQAUKUHATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-16-5-2-6-18(10-9-16)14(19)12-3-7-17-8-4-15-13(17)11-12/h3-4,7-8,11H,2,5-6,9-10H2,1H3.
What are the key properties of imidazo[1,2-a]pyridin-7-yl-(4-methyl-1,4-diazepan-1-yl)methanone?
imidazo[1,2-a]pyridin-7-yl-(4-methyl-1,4-diazepan-1-yl)methanone has a molecular weight of 258.32 g/mol, XLogP of 1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyridin-7-yl-(4-methyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 97237862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).