methyl 3-(cyclohexylamino)-2-(3-methyl-1,2-benzoxazol-5-yl)imidazo[1,2-a]pyridine-7-carboxylate

C23H24N4O3 — CID 138535792

IUPACmethyl 3-(cyclohexylamino)-2-(3-methyl-1,2-benzoxazol-5-yl)imidazo[1,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2c(NC3CCCCC3)c(-c3ccc4onc(C)c4c3)nc2c1
InChIInChI=1S/C23H24N4O3/c1-14-18-12-15(8-9-19(18)30-26-14)21-22(24-17-6-4-3-5-7-17)27-11-10-16(23(28)29-2)13-20(27)25-21/h8-13,17,24H,3-7H2,1-2H3
InChIKeyPUZVVXHBYIMUJL-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.98
Rot. Bonds4

About methyl 3-(cyclohexylamino)-2-(3-methyl-1,2-benzoxazol-5-yl)imidazo[1,2-a]pyridine-7-carboxylate

methyl 3-(cyclohexylamino)-2-(3-methyl-1,2-benzoxazol-5-yl)imidazo[1,2-a]pyridine-7-carboxylate (PubChem CID 138535792) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is methyl 3-(cyclohexylamino)-2-(3-methyl-1,2-benzoxazol-5-yl)imidazo[1,2-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-(cyclohexylamino)-2-(3-methyl-1,2-benzoxazol-5-yl)imidazo[1,2-a]pyridine-7-carboxylate
PubChem CID138535792
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Namemethyl 3-(cyclohexylamino)-2-(3-methyl-1,2-benzoxazol-5-yl)imidazo[1,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2c(NC3CCCCC3)c(-c3ccc4onc(C)c4c3)nc2c1
InChIInChI=1S/C23H24N4O3/c1-14-18-12-15(8-9-19(18)30-26-14)21-22(24-17-6-4-3-5-7-17)27-11-10-16(23(28)29-2)13-20(27)25-21/h8-13,17,24H,3-7H2,1-2H3
InChIKeyPUZVVXHBYIMUJL-UHFFFAOYSA-N
XLogP4.98
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-(cyclohexylamino)-2-(3-methyl-1,2-benzoxazol-5-yl)imidazo[1,2-a]pyridine-7-carboxylate with MolForge

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Related Compounds

methyl 3-(cyclohexylamino)-2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)imidazo[1,2-a]pyridine-7-carboxylate
CID 138535696
methyl 4-[7-[[3-(aminomethyl)phenyl]methylcarbamoyl]-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]benzoate
CID 23738412
4-[3-(cyclopentylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol
CID 855600
[4-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] cyclopropanecarboxylate
CID 42743325
[4-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] furan-2-carboxylate
CID 3916477
[3-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] cyclopentanecarboxylate
CID 3295389
[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] 3-methoxybenzoate
CID 3349972
N-cyclohexyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenyl]imidazo[1,2-a]pyrazin-3-amine
CID 132585236
4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol
CID 861991
4-[3-(cyclopentylamino)imidazo[1,2-a]pyrazin-2-yl]benzene-1,2-diol
CID 135674297
[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] 4-methoxybenzoate
CID 3537498
[4-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] octanoate
CID 3381982

Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyclohexylamino)-2-(3-methyl-1,2-benzoxazol-5-yl)imidazo[1,2-a]pyridine-7-carboxylate?
The IUPAC name of methyl 3-(cyclohexylamino)-2-(3-methyl-1,2-benzoxazol-5-yl)imidazo[1,2-a]pyridine-7-carboxylate (CID 138535792) is methyl 3-(cyclohexylamino)-2-(3-methyl-1,2-benzoxazol-5-yl)imidazo[1,2-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 3-(cyclohexylamino)-2-(3-methyl-1,2-benzoxazol-5-yl)imidazo[1,2-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 3-(cyclohexylamino)-2-(3-methyl-1,2-benzoxazol-5-yl)imidazo[1,2-a]pyridine-7-carboxylate is COC(=O)c1ccn2c(NC3CCCCC3)c(-c3ccc4onc(C)c4c3)nc2c1.
What is the InChIKey of methyl 3-(cyclohexylamino)-2-(3-methyl-1,2-benzoxazol-5-yl)imidazo[1,2-a]pyridine-7-carboxylate?
The InChIKey is PUZVVXHBYIMUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-14-18-12-15(8-9-19(18)30-26-14)21-22(24-17-6-4-3-5-7-17)27-11-10-16(23(28)29-2)13-20(27)25-21/h8-13,17,24H,3-7H2,1-2H3.
What are the key properties of methyl 3-(cyclohexylamino)-2-(3-methyl-1,2-benzoxazol-5-yl)imidazo[1,2-a]pyridine-7-carboxylate?
methyl 3-(cyclohexylamino)-2-(3-methyl-1,2-benzoxazol-5-yl)imidazo[1,2-a]pyridine-7-carboxylate has a molecular weight of 404.47 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclohexylamino)-2-(3-methyl-1,2-benzoxazol-5-yl)imidazo[1,2-a]pyridine-7-carboxylate is sourced from PubChem (CID 138535792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).