[2-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] pentanoate

C27H37N3O2 — CID 3439836

IUPAC[2-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] pentanoate
SMILESCCCCC(=O)Oc1ccccc1-c1nc2cc(C)ccn2c1NC(C)(C)CC(C)(C)C
InChIInChI=1S/C27H37N3O2/c1-8-9-14-23(31)32-21-13-11-10-12-20(21)24-25(29-27(6,7)18-26(3,4)5)30-16-15-19(2)17-22(30)28-24/h10-13,15-17,29H,8-9,14,18H2,1-7H3
InChIKeyBBPJWSZDDHPZMT-UHFFFAOYSA-N
MW435.61 g/mol
LogP7.03
Rot. Bonds8

About [2-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] pentanoate

[2-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] pentanoate (PubChem CID 3439836) has the molecular formula C27H37N3O2 and a molecular weight of 435.61 g/mol. Its IUPAC name is [2-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] pentanoate.

Molecular Properties

Compound Name[2-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] pentanoate
PubChem CID3439836
Molecular FormulaC27H37N3O2
Molecular Weight435.61 g/mol
Exact Mass435.29
IUPAC Name[2-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] pentanoate
SMILESCCCCC(=O)Oc1ccccc1-c1nc2cc(C)ccn2c1NC(C)(C)CC(C)(C)C
InChIInChI=1S/C27H37N3O2/c1-8-9-14-23(31)32-21-13-11-10-12-20(21)24-25(29-27(6,7)18-26(3,4)5)30-16-15-19(2)17-22(30)28-24/h10-13,15-17,29H,8-9,14,18H2,1-7H3
InChIKeyBBPJWSZDDHPZMT-UHFFFAOYSA-N
XLogP7.03
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.61
LogP ≤ 57.03
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-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
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
3-Imidazo[1,2-a]pyrimidin-2-yl-chromen-2-one
CID 654596
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
2-(4-Piperidinopropoxyphenyl)-8-methylimidazo[1,2-a]pyridine
CID 9902971
2-(4-Pyrrolidinopropoxyphenyl)-7-methylimidazo[1,2-a]pyridine
CID 9945660

Frequently Asked Questions

What is the IUPAC name of [2-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] pentanoate?
The IUPAC name of [2-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] pentanoate (CID 3439836) is [2-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] pentanoate.
What is the SMILES notation for [2-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] pentanoate?
The canonical SMILES for [2-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] pentanoate is CCCCC(=O)Oc1ccccc1-c1nc2cc(C)ccn2c1NC(C)(C)CC(C)(C)C.
What is the InChIKey of [2-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] pentanoate?
The InChIKey is BBPJWSZDDHPZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O2/c1-8-9-14-23(31)32-21-13-11-10-12-20(21)24-25(29-27(6,7)18-26(3,4)5)30-16-15-19(2)17-22(30)28-24/h10-13,15-17,29H,8-9,14,18H2,1-7H3.
What are the key properties of [2-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] pentanoate?
[2-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] pentanoate has a molecular weight of 435.61 g/mol, XLogP of 7.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] pentanoate is sourced from PubChem (CID 3439836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).