[3-[3-(tert-butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-methoxybenzoate

C26H27N3O3 — CID 5027401

IUPAC[3-[3-(tert-butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2cccc(-c3nc4cc(C)ccn4c3NC(C)(C)C)c2)cc1
InChIInChI=1S/C26H27N3O3/c1-17-13-14-29-22(15-17)27-23(24(29)28-26(2,3)4)19-7-6-8-21(16-19)32-25(30)18-9-11-20(31-5)12-10-18/h6-16,28H,1-5H3
InChIKeyMWPBFGASQNLOGA-UHFFFAOYSA-N
MW429.52 g/mol
LogP5.75
Rot. Bonds5

About [3-[3-(tert-butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-methoxybenzoate

[3-[3-(tert-butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-methoxybenzoate (PubChem CID 5027401) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is [3-[3-(tert-butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-methoxybenzoate.

Molecular Properties

Compound Name[3-[3-(tert-butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-methoxybenzoate
PubChem CID5027401
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name[3-[3-(tert-butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2cccc(-c3nc4cc(C)ccn4c3NC(C)(C)C)c2)cc1
InChIInChI=1S/C26H27N3O3/c1-17-13-14-29-22(15-17)27-23(24(29)28-26(2,3)4)19-7-6-8-21(16-19)32-25(30)18-9-11-20(31-5)12-10-18/h6-16,28H,1-5H3
InChIKeyMWPBFGASQNLOGA-UHFFFAOYSA-N
XLogP5.75
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[3-[3-(tert-butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-2-carboxylate
CID 3276136
2-(3-methoxyphenyl)-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 3987356
[3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3,5-bis(trifluoromethyl)benzoate
CID 4042450
[3-[3-(tert-butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2,4,6-trimethylbenzenesulfonate
CID 3883066
3-methoxy-N-[2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]benzamide
CID 4226621
[3-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 3-chloro-2,2-dimethylpropanoate
CID 3931184
[3-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3-cyclopentylpropanoate
CID 3381984
[2-methoxy-4-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3-nitrobenzoate
CID 3928647
N-[2-(3-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 42694497
[3-[3-[(2-ethoxy-2-oxoethyl)amino]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylacetate
CID 42742883
[3-[3-(tert-butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-chloro-3-nitrobenzenesulfonate
CID 3988232
[4-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-1-carboxylate
CID 42658968

Frequently Asked Questions

What is the IUPAC name of [3-[3-(tert-butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-methoxybenzoate?
The IUPAC name of [3-[3-(tert-butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-methoxybenzoate (CID 5027401) is [3-[3-(tert-butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-methoxybenzoate.
What is the SMILES notation for [3-[3-(tert-butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-methoxybenzoate?
The canonical SMILES for [3-[3-(tert-butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-methoxybenzoate is COc1ccc(C(=O)Oc2cccc(-c3nc4cc(C)ccn4c3NC(C)(C)C)c2)cc1.
What is the InChIKey of [3-[3-(tert-butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-methoxybenzoate?
The InChIKey is MWPBFGASQNLOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-17-13-14-29-22(15-17)27-23(24(29)28-26(2,3)4)19-7-6-8-21(16-19)32-25(30)18-9-11-20(31-5)12-10-18/h6-16,28H,1-5H3.
What are the key properties of [3-[3-(tert-butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-methoxybenzoate?
[3-[3-(tert-butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-methoxybenzoate has a molecular weight of 429.52 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(tert-butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-methoxybenzoate is sourced from PubChem (CID 5027401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).