methyl 6-bromo-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate

C18H18BrN5O3 — CID 67404315

IUPACmethyl 6-bromo-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate
SMILESCOC(=O)c1c(Br)cc(Nc2ccc(N3CCOCC3)cn2)c2nccn12
InChIInChI=1S/C18H18BrN5O3/c1-26-18(25)16-13(19)10-14(17-20-4-5-24(16)17)22-15-3-2-12(11-21-15)23-6-8-27-9-7-23/h2-5,10-11H,6-9H2,1H3,(H,21,22)
InChIKeyKEMYOQGPYVKEKN-UHFFFAOYSA-N
MW432.28 g/mol
LogP2.86
Rot. Bonds4

About methyl 6-bromo-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate

methyl 6-bromo-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate (PubChem CID 67404315) has the molecular formula C18H18BrN5O3 and a molecular weight of 432.28 g/mol. Its IUPAC name is methyl 6-bromo-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-bromo-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate
PubChem CID67404315
Molecular FormulaC18H18BrN5O3
Molecular Weight432.28 g/mol
Exact Mass431.06
IUPAC Namemethyl 6-bromo-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate
SMILESCOC(=O)c1c(Br)cc(Nc2ccc(N3CCOCC3)cn2)c2nccn12
InChIInChI=1S/C18H18BrN5O3/c1-26-18(25)16-13(19)10-14(17-20-4-5-24(16)17)22-15-3-2-12(11-21-15)23-6-8-27-9-7-23/h2-5,10-11H,6-9H2,1H3,(H,21,22)
InChIKeyKEMYOQGPYVKEKN-UHFFFAOYSA-N
XLogP2.86
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 6-bromo-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

6-(3H-indol-5-yl)-5-methyl-N-(5-morpholin-4-yl-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine
CID 157435542
1-methyl-3-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridin-2-one
CID 68767381
tert-butyl N-[2-(5-bromoimidazo[1,2-a]pyrazin-8-yl)-4-morpholin-4-ylphenyl]carbamate
CID 87331200
methyl 6-morpholin-4-ylquinoline-4-carboxylate
CID 102941785
2-chloro-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-4-carboxamide
CID 33447939
[6-[(6-bromoimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;6,8-dibromoimidazo[1,2-b]pyridazine
CID 157294637
6-methoxy-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-3-carboxamide
CID 134053283
methyl 2-methyl-4-morpholin-4-ylbenzoate
CID 90024135
6-(2,6-difluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridine-3-carboxamide
CID 174998817
2-(6-bromonaphthalen-2-yl)oxy-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
CID 55823377
4-methoxy-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-4-carboxamide
CID 119842024
6-(2-chloro-5-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 171909100

Frequently Asked Questions

What is the IUPAC name of methyl 6-bromo-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate?
The IUPAC name of methyl 6-bromo-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate (CID 67404315) is methyl 6-bromo-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 6-bromo-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 6-bromo-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate is COC(=O)c1c(Br)cc(Nc2ccc(N3CCOCC3)cn2)c2nccn12.
What is the InChIKey of methyl 6-bromo-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate?
The InChIKey is KEMYOQGPYVKEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN5O3/c1-26-18(25)16-13(19)10-14(17-20-4-5-24(16)17)22-15-3-2-12(11-21-15)23-6-8-27-9-7-23/h2-5,10-11H,6-9H2,1H3,(H,21,22).
What are the key properties of methyl 6-bromo-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate?
methyl 6-bromo-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate has a molecular weight of 432.28 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-bromo-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate is sourced from PubChem (CID 67404315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).