[2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] propanoate

C24H31N3O2 — CID 1195032

IUPAC[2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] propanoate
SMILESCCC(=O)Oc1ccccc1-c1nc2ccccn2c1NC(C)(C)CC(C)(C)C
InChIInChI=1S/C24H31N3O2/c1-7-20(28)29-18-13-9-8-12-17(18)21-22(26-24(5,6)16-23(2,3)4)27-15-11-10-14-19(27)25-21/h8-15,26H,7,16H2,1-6H3
InChIKeyPNFDJLGSZSORRS-UHFFFAOYSA-N
MW393.53 g/mol
LogP5.94
Rot. Bonds6

About [2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] propanoate

[2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] propanoate (PubChem CID 1195032) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is [2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] propanoate.

Molecular Properties

Compound Name[2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] propanoate
PubChem CID1195032
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name[2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] propanoate
SMILESCCC(=O)Oc1ccccc1-c1nc2ccccn2c1NC(C)(C)CC(C)(C)C
InChIInChI=1S/C24H31N3O2/c1-7-20(28)29-18-13-9-8-12-17(18)21-22(26-24(5,6)16-23(2,3)4)27-15-11-10-14-19(27)25-21/h8-15,26H,7,16H2,1-6H3
InChIKeyPNFDJLGSZSORRS-UHFFFAOYSA-N
XLogP5.94
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Methoxyphenyl)imidazo[1,2-a]pyridine
CID 694963
2-(4-Ethoxyphenyl)imidazo[1,2-a]pyridine
CID 720519
2-(4-Propoxyphenyl)imidazo[1,2-a]pyridine
CID 2876085
(S)-3-(6,8-Dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(3-methylpiperazin-1-yl)-2H-chromen-2-one
CID 89655253
7-Methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179283
5-Methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179296
3,6-Bis(4-isopropoxyphenyl)imidazo[1,2-a]pyridine
CID 134179604
6-(3-Methyl-4-propan-2-yloxyphenyl)-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179850
3-(8-Methyl-2-imidazo[1,2-a]pyridinyl)-1-benzopyran-2-one
CID 767302
2-(4-Methoxyphenyl)-7-methylimidazo[1,2-a]pyridine
CID 828003
3-(7-Methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one
CID 830970
Antiproliferative agent-14
CID 86280647

Frequently Asked Questions

What is the IUPAC name of [2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] propanoate?
The IUPAC name of [2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] propanoate (CID 1195032) is [2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] propanoate.
What is the SMILES notation for [2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] propanoate?
The canonical SMILES for [2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] propanoate is CCC(=O)Oc1ccccc1-c1nc2ccccn2c1NC(C)(C)CC(C)(C)C.
What is the InChIKey of [2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] propanoate?
The InChIKey is PNFDJLGSZSORRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-7-20(28)29-18-13-9-8-12-17(18)21-22(26-24(5,6)16-23(2,3)4)27-15-11-10-14-19(27)25-21/h8-15,26H,7,16H2,1-6H3.
What are the key properties of [2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] propanoate?
[2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] propanoate has a molecular weight of 393.53 g/mol, XLogP of 5.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] propanoate is sourced from PubChem (CID 1195032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).