[2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3,5,5-trimethylhexanoate

C30H43N3O2 — CID 3512620

IUPAC[2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3,5,5-trimethylhexanoate
SMILESCC(CC(=O)Oc1ccccc1-c1nc2ccccn2c1NC(C)(C)CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C30H43N3O2/c1-21(19-28(2,3)4)18-25(34)35-23-15-11-10-14-22(23)26-27(32-30(8,9)20-29(5,6)7)33-17-13-12-16-24(33)31-26/h10-17,21,32H,18-20H2,1-9H3
InChIKeyKRQNFWJWFSXPBP-UHFFFAOYSA-N
MW477.69 g/mol
LogP8.00
Rot. Bonds8

About [2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3,5,5-trimethylhexanoate

[2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3,5,5-trimethylhexanoate (PubChem CID 3512620) has the molecular formula C30H43N3O2 and a molecular weight of 477.69 g/mol. Its IUPAC name is [2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3,5,5-trimethylhexanoate.

Molecular Properties

Compound Name[2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3,5,5-trimethylhexanoate
PubChem CID3512620
Molecular FormulaC30H43N3O2
Molecular Weight477.69 g/mol
Exact Mass477.34
IUPAC Name[2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3,5,5-trimethylhexanoate
SMILESCC(CC(=O)Oc1ccccc1-c1nc2ccccn2c1NC(C)(C)CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C30H43N3O2/c1-21(19-28(2,3)4)18-25(34)35-23-15-11-10-14-22(23)26-27(32-30(8,9)20-29(5,6)7)33-17-13-12-16-24(33)31-26/h10-17,21,32H,18-20H2,1-9H3
InChIKeyKRQNFWJWFSXPBP-UHFFFAOYSA-N
XLogP8.00
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.69
LogP ≤ 58.00
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

(S)-3-(6,8-Dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(3-methylpiperazin-1-yl)-2H-chromen-2-one
CID 89655253
3-(8-Methyl-2-imidazo[1,2-a]pyridinyl)-1-benzopyran-2-one
CID 767302
3-(7-Methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one
CID 830970
3-(imidazo[1,2-a]pyridin-2-yl)-2H-chromen-2-one
CID 397075
8-methoxy-3-(8-methylimidazo[1,2-a]pyridin-2-yl)-2H-chromen-2-one
CID 767317
N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-2-oxochromene-3-carboxamide
CID 2877674
Dimethyl-{3-[4-(8-methyl-imidazo[1,2-a]pyridin-2-yl)-phenoxy]-propyl}-amine
CID 9839643
Dibutyl-{3-[4-(8-methyl-imidazo[1,2-a]pyridin-2-yl)-phenoxy]-propyl}-amine
CID 9865378
{3-[4-(8-Methyl-imidazo[1,2-a]pyridin-2-yl)-phenoxy]-propyl}-dipropyl-amine
CID 9947283
2-(4-Dipropylaminopropoxy-(3-methyl)-phenyl)-8-methylimidazo[1,2-a]pyridine
CID 10110274
Dibutyl-{3-[4-(3,8-dimethyl-imidazo[1,2-a]pyridin-2-yl)-phenoxy]-propyl}-amine
CID 10179589
2-(2-Butoxy-phenyl)-3H-imidazo[4,5-b]pyridine
CID 10423102

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] 3,5,5-trimethylhexanoate?
The IUPAC name of [2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3,5,5-trimethylhexanoate (CID 3512620) is [2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3,5,5-trimethylhexanoate.
What is the SMILES notation for [2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3,5,5-trimethylhexanoate?
The canonical SMILES for [2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3,5,5-trimethylhexanoate is CC(CC(=O)Oc1ccccc1-c1nc2ccccn2c1NC(C)(C)CC(C)(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] 3,5,5-trimethylhexanoate?
The InChIKey is KRQNFWJWFSXPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43N3O2/c1-21(19-28(2,3)4)18-25(34)35-23-15-11-10-14-22(23)26-27(32-30(8,9)20-29(5,6)7)33-17-13-12-16-24(33)31-26/h10-17,21,32H,18-20H2,1-9H3.
What are the key properties of [2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3,5,5-trimethylhexanoate?
[2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3,5,5-trimethylhexanoate has a molecular weight of 477.69 g/mol, XLogP of 8.00, 8 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] 3,5,5-trimethylhexanoate is sourced from PubChem (CID 3512620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).