6-chloro-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)imidazo[1,2-a]pyridine-8-carboxamide

C16H22ClN5O — CID 10958623

IUPAC6-chloro-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)imidazo[1,2-a]pyridine-8-carboxamide
SMILESCCN1CCN(C)CC(NC(=O)c2cc(Cl)cn3ccnc23)C1
InChIInChI=1S/C16H22ClN5O/c1-3-21-7-6-20(2)10-13(11-21)19-16(23)14-8-12(17)9-22-5-4-18-15(14)22/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3,(H,19,23)
InChIKeySQCJCBMXZOOJRE-UHFFFAOYSA-N
MW335.84 g/mol
LogP1.35
Rot. Bonds3

About 6-chloro-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)imidazo[1,2-a]pyridine-8-carboxamide

6-chloro-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)imidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 10958623) has the molecular formula C16H22ClN5O and a molecular weight of 335.84 g/mol. Its IUPAC name is 6-chloro-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)imidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)imidazo[1,2-a]pyridine-8-carboxamide
PubChem CID10958623
Molecular FormulaC16H22ClN5O
Molecular Weight335.84 g/mol
Exact Mass335.15
IUPAC Name6-chloro-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)imidazo[1,2-a]pyridine-8-carboxamide
SMILESCCN1CCN(C)CC(NC(=O)c2cc(Cl)cn3ccnc23)C1
InChIInChI=1S/C16H22ClN5O/c1-3-21-7-6-20(2)10-13(11-21)19-16(23)14-8-12(17)9-22-5-4-18-15(14)22/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3,(H,19,23)
InChIKeySQCJCBMXZOOJRE-UHFFFAOYSA-N
XLogP1.35
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)imidazo[1,2-a]pyridine-8-carboxamide?
The IUPAC name of 6-chloro-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)imidazo[1,2-a]pyridine-8-carboxamide (CID 10958623) is 6-chloro-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)imidazo[1,2-a]pyridine-8-carboxamide.
What is the SMILES notation for 6-chloro-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)imidazo[1,2-a]pyridine-8-carboxamide?
The canonical SMILES for 6-chloro-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)imidazo[1,2-a]pyridine-8-carboxamide is CCN1CCN(C)CC(NC(=O)c2cc(Cl)cn3ccnc23)C1.
What is the InChIKey of 6-chloro-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)imidazo[1,2-a]pyridine-8-carboxamide?
The InChIKey is SQCJCBMXZOOJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN5O/c1-3-21-7-6-20(2)10-13(11-21)19-16(23)14-8-12(17)9-22-5-4-18-15(14)22/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3,(H,19,23).
What are the key properties of 6-chloro-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)imidazo[1,2-a]pyridine-8-carboxamide?
6-chloro-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)imidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 335.84 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)imidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 10958623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).