2-[2-[(1-hydroxycyclohexyl)methylamino]-2-oxoethyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]imidazo[1,2-a]pyridine-5-carboxamide

C28H41N5O4 — CID 70862409

IUPAC2-[2-[(1-hydroxycyclohexyl)methylamino]-2-oxoethyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]imidazo[1,2-a]pyridine-5-carboxamide
SMILESO=C(Cc1cn2c(C(=O)NCC3(N4CCOCC4)CCCCC3)cccc2n1)NCC1(O)CCCCC1
InChIInChI=1S/C28H41N5O4/c34-25(29-21-28(36)12-5-2-6-13-28)18-22-19-33-23(8-7-9-24(33)31-22)26(35)30-20-27(10-3-1-4-11-27)32-14-16-37-17-15-32/h7-9,19,36H,1-6,10-18,20-21H2,(H,29,34)(H,30,35)
InChIKeyIXZWEGNOBOYCIP-UHFFFAOYSA-N
MW511.67 g/mol
LogP2.45
Rot. Bonds8

About 2-[2-[(1-hydroxycyclohexyl)methylamino]-2-oxoethyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]imidazo[1,2-a]pyridine-5-carboxamide

2-[2-[(1-hydroxycyclohexyl)methylamino]-2-oxoethyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]imidazo[1,2-a]pyridine-5-carboxamide (PubChem CID 70862409) has the molecular formula C28H41N5O4 and a molecular weight of 511.67 g/mol. Its IUPAC name is 2-[2-[(1-hydroxycyclohexyl)methylamino]-2-oxoethyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]imidazo[1,2-a]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-[2-[(1-hydroxycyclohexyl)methylamino]-2-oxoethyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]imidazo[1,2-a]pyridine-5-carboxamide
PubChem CID70862409
Molecular FormulaC28H41N5O4
Molecular Weight511.67 g/mol
Exact Mass511.32
IUPAC Name2-[2-[(1-hydroxycyclohexyl)methylamino]-2-oxoethyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]imidazo[1,2-a]pyridine-5-carboxamide
SMILESO=C(Cc1cn2c(C(=O)NCC3(N4CCOCC4)CCCCC3)cccc2n1)NCC1(O)CCCCC1
InChIInChI=1S/C28H41N5O4/c34-25(29-21-28(36)12-5-2-6-13-28)18-22-19-33-23(8-7-9-24(33)31-22)26(35)30-20-27(10-3-1-4-11-27)32-14-16-37-17-15-32/h7-9,19,36H,1-6,10-18,20-21H2,(H,29,34)(H,30,35)
InChIKeyIXZWEGNOBOYCIP-UHFFFAOYSA-N
XLogP2.45
TPSA108.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.67
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[2-[(1-hydroxycyclohexyl)methylamino]-2-oxoethyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]imidazo[1,2-a]pyridine-5-carboxamide with MolForge

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Related Compounds

2-(3,4-dichlorophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 2542286
1-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 111779856
N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzothiophene-2-carboxamide
CID 46512703
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-phenylpropanamide
CID 18150652
4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 2559826
2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 4803583
2-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide;hydrochloride
CID 20995028
3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]furan-2-carboxamide
CID 51340136
2-(2-morpholin-4-yl-2-oxoethyl)-N-(7-tetracyclo[5.3.1.01,9.02,4]undecanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide
CID 163673315
3-acetamido-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 18150674
3-bromo-N-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]benzamide
CID 18150703
3-fluoro-N-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]benzamide
CID 78784195

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-hydroxycyclohexyl)methylamino]-2-oxoethyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]imidazo[1,2-a]pyridine-5-carboxamide?
The IUPAC name of 2-[2-[(1-hydroxycyclohexyl)methylamino]-2-oxoethyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]imidazo[1,2-a]pyridine-5-carboxamide (CID 70862409) is 2-[2-[(1-hydroxycyclohexyl)methylamino]-2-oxoethyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]imidazo[1,2-a]pyridine-5-carboxamide.
What is the SMILES notation for 2-[2-[(1-hydroxycyclohexyl)methylamino]-2-oxoethyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]imidazo[1,2-a]pyridine-5-carboxamide?
The canonical SMILES for 2-[2-[(1-hydroxycyclohexyl)methylamino]-2-oxoethyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]imidazo[1,2-a]pyridine-5-carboxamide is O=C(Cc1cn2c(C(=O)NCC3(N4CCOCC4)CCCCC3)cccc2n1)NCC1(O)CCCCC1.
What is the InChIKey of 2-[2-[(1-hydroxycyclohexyl)methylamino]-2-oxoethyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]imidazo[1,2-a]pyridine-5-carboxamide?
The InChIKey is IXZWEGNOBOYCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N5O4/c34-25(29-21-28(36)12-5-2-6-13-28)18-22-19-33-23(8-7-9-24(33)31-22)26(35)30-20-27(10-3-1-4-11-27)32-14-16-37-17-15-32/h7-9,19,36H,1-6,10-18,20-21H2,(H,29,34)(H,30,35).
What are the key properties of 2-[2-[(1-hydroxycyclohexyl)methylamino]-2-oxoethyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]imidazo[1,2-a]pyridine-5-carboxamide?
2-[2-[(1-hydroxycyclohexyl)methylamino]-2-oxoethyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]imidazo[1,2-a]pyridine-5-carboxamide has a molecular weight of 511.67 g/mol, XLogP of 2.45, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-hydroxycyclohexyl)methylamino]-2-oxoethyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]imidazo[1,2-a]pyridine-5-carboxamide is sourced from PubChem (CID 70862409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).