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

C29H27N3O2 — CID 3276136

IUPAC[3-[3-(tert-butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-2-carboxylate
SMILESCc1ccn2c(NC(C)(C)C)c(-c3cccc(OC(=O)c4ccc5ccccc5c4)c3)nc2c1
InChIInChI=1S/C29H27N3O2/c1-19-14-15-32-25(16-19)30-26(27(32)31-29(2,3)4)22-10-7-11-24(18-22)34-28(33)23-13-12-20-8-5-6-9-21(20)17-23/h5-18,31H,1-4H3
InChIKeyHZRMBEIVEUIIHI-UHFFFAOYSA-N
MW449.55 g/mol
LogP6.89
Rot. Bonds4

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

[3-[3-(tert-butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-2-carboxylate (PubChem CID 3276136) has the molecular formula C29H27N3O2 and a molecular weight of 449.55 g/mol. Its IUPAC name is [3-[3-(tert-butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-2-carboxylate.

Molecular Properties

Compound Name[3-[3-(tert-butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-2-carboxylate
PubChem CID3276136
Molecular FormulaC29H27N3O2
Molecular Weight449.55 g/mol
Exact Mass449.21
IUPAC Name[3-[3-(tert-butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-2-carboxylate
SMILESCc1ccn2c(NC(C)(C)C)c(-c3cccc(OC(=O)c4ccc5ccccc5c4)c3)nc2c1
InChIInChI=1S/C29H27N3O2/c1-19-14-15-32-25(16-19)30-26(27(32)31-29(2,3)4)22-10-7-11-24(18-22)34-28(33)23-13-12-20-8-5-6-9-21(20)17-23/h5-18,31H,1-4H3
InChIKeyHZRMBEIVEUIIHI-UHFFFAOYSA-N
XLogP6.89
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.55
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [3-[3-(tert-butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[3-(tert-butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-methoxybenzoate
CID 5027401
[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-[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
[3-[3-[(2-ethoxy-2-oxoethyl)amino]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylacetate
CID 42742883
[4-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-1-carboxylate
CID 42658968
2-(3-methoxyphenyl)-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 3987356
[3-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 3-phenylprop-2-enoate
CID 4637314
[3-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 3,5,5-trimethylhexanoate
CID 42743438
[3-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] cyclopentanecarboxylate
CID 3295389
[3-[3-(tert-butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-chloro-3-nitrobenzenesulfonate
CID 3988232

Frequently Asked Questions

What is the IUPAC name of [3-[3-(tert-butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-2-carboxylate?
The IUPAC name of [3-[3-(tert-butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-2-carboxylate (CID 3276136) is [3-[3-(tert-butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-2-carboxylate.
What is the SMILES notation for [3-[3-(tert-butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-2-carboxylate?
The canonical SMILES for [3-[3-(tert-butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-2-carboxylate is Cc1ccn2c(NC(C)(C)C)c(-c3cccc(OC(=O)c4ccc5ccccc5c4)c3)nc2c1.
What is the InChIKey of [3-[3-(tert-butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-2-carboxylate?
The InChIKey is HZRMBEIVEUIIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O2/c1-19-14-15-32-25(16-19)30-26(27(32)31-29(2,3)4)22-10-7-11-24(18-22)34-28(33)23-13-12-20-8-5-6-9-21(20)17-23/h5-18,31H,1-4H3.
What are the key properties of [3-[3-(tert-butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-2-carboxylate?
[3-[3-(tert-butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-2-carboxylate has a molecular weight of 449.55 g/mol, XLogP of 6.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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] naphthalene-2-carboxylate is sourced from PubChem (CID 3276136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).