3-[6-bromo-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]-4-hydroxychromen-2-one

C24H26BrN3O3 — CID 132838692

IUPAC3-[6-bromo-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]-4-hydroxychromen-2-one
SMILESCC(C)(C)CC(C)(C)Nc1c(-c2c(O)c3ccccc3oc2=O)nc2ccc(Br)cn12
InChIInChI=1S/C24H26BrN3O3/c1-23(2,3)13-24(4,5)27-21-19(26-17-11-10-14(25)12-28(17)21)18-20(29)15-8-6-7-9-16(15)31-22(18)30/h6-12,27,29H,13H2,1-5H3
InChIKeyURRUZROTVACCPO-UHFFFAOYSA-N
MW484.39 g/mol
LogP6.20
Rot. Bonds4

About 3-[6-bromo-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]-4-hydroxychromen-2-one

3-[6-bromo-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]-4-hydroxychromen-2-one (PubChem CID 132838692) has the molecular formula C24H26BrN3O3 and a molecular weight of 484.39 g/mol. Its IUPAC name is 3-[6-bromo-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]-4-hydroxychromen-2-one.

Molecular Properties

Compound Name3-[6-bromo-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]-4-hydroxychromen-2-one
PubChem CID132838692
Molecular FormulaC24H26BrN3O3
Molecular Weight484.39 g/mol
Exact Mass483.12
IUPAC Name3-[6-bromo-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]-4-hydroxychromen-2-one
SMILESCC(C)(C)CC(C)(C)Nc1c(-c2c(O)c3ccccc3oc2=O)nc2ccc(Br)cn12
InChIInChI=1S/C24H26BrN3O3/c1-23(2,3)13-24(4,5)27-21-19(26-17-11-10-14(25)12-28(17)21)18-20(29)15-8-6-7-9-16(15)31-22(18)30/h6-12,27,29H,13H2,1-5H3
InChIKeyURRUZROTVACCPO-UHFFFAOYSA-N
XLogP6.20
TPSA79.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.39
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2-pyridin-3-yl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 3890399
[4-[6-bromo-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] 2-fluorobenzoate
CID 42658934
6-bromo-N-tert-butyl-2-(2-chlorophenyl)imidazo[1,2-a]pyridin-3-amine
CID 3900108
N',N'-dimethyl-N-[10-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]anthracen-9-yl]propane-1,3-diamine
CID 71452866
methyl 2-[[6-bromo-2-(1H-indol-3-yl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
CID 4565107
3-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-hydroxychromen-2-one
CID 127255334
2-[6-chloro-3-(2-methylbutan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenol
CID 858071
6-chloro-2-(4-ethoxyphenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 3694158
[2-[3-(benzylamino)-6-bromoimidazo[1,2-a]pyridin-2-yl]phenyl] butanoate
CID 4221332
[2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] thiophene-2-carboxylate
CID 3693521
[2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2-methoxybenzoate
CID 5111233
4-hydroxy-3-methylchromen-2-one
CID 54687016

Frequently Asked Questions

What is the IUPAC name of 3-[6-bromo-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]-4-hydroxychromen-2-one?
The IUPAC name of 3-[6-bromo-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]-4-hydroxychromen-2-one (CID 132838692) is 3-[6-bromo-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]-4-hydroxychromen-2-one.
What is the SMILES notation for 3-[6-bromo-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]-4-hydroxychromen-2-one?
The canonical SMILES for 3-[6-bromo-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]-4-hydroxychromen-2-one is CC(C)(C)CC(C)(C)Nc1c(-c2c(O)c3ccccc3oc2=O)nc2ccc(Br)cn12.
What is the InChIKey of 3-[6-bromo-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]-4-hydroxychromen-2-one?
The InChIKey is URRUZROTVACCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26BrN3O3/c1-23(2,3)13-24(4,5)27-21-19(26-17-11-10-14(25)12-28(17)21)18-20(29)15-8-6-7-9-16(15)31-22(18)30/h6-12,27,29H,13H2,1-5H3.
What are the key properties of 3-[6-bromo-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]-4-hydroxychromen-2-one?
3-[6-bromo-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]-4-hydroxychromen-2-one has a molecular weight of 484.39 g/mol, XLogP of 6.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-bromo-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]-4-hydroxychromen-2-one is sourced from PubChem (CID 132838692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).