6-bromo-2-pyridin-3-yl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine

C20H25BrN4 — CID 3890399

IUPAC6-bromo-2-pyridin-3-yl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCC(C)(C)CC(C)(C)Nc1c(-c2cccnc2)nc2ccc(Br)cn12
InChIInChI=1S/C20H25BrN4/c1-19(2,3)13-20(4,5)24-18-17(14-7-6-10-22-11-14)23-16-9-8-15(21)12-25(16)18/h6-12,24H,13H2,1-5H3
InChIKeyKQEIAPUEWPJGEP-UHFFFAOYSA-N
MW401.35 g/mol
LogP5.79
Rot. Bonds4

About 6-bromo-2-pyridin-3-yl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine

6-bromo-2-pyridin-3-yl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 3890399) has the molecular formula C20H25BrN4 and a molecular weight of 401.35 g/mol. Its IUPAC name is 6-bromo-2-pyridin-3-yl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-2-pyridin-3-yl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
PubChem CID3890399
Molecular FormulaC20H25BrN4
Molecular Weight401.35 g/mol
Exact Mass400.13
IUPAC Name6-bromo-2-pyridin-3-yl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCC(C)(C)CC(C)(C)Nc1c(-c2cccnc2)nc2ccc(Br)cn12
InChIInChI=1S/C20H25BrN4/c1-19(2,3)13-20(4,5)24-18-17(14-7-6-10-22-11-14)23-16-9-8-15(21)12-25(16)18/h6-12,24H,13H2,1-5H3
InChIKeyKQEIAPUEWPJGEP-UHFFFAOYSA-N
XLogP5.79
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.35
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-(oxolan-2-ylmethyl)-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine
CID 3180938
6-bromo-N-[[(2S)-oxolan-2-yl]methyl]-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine
CID 1154351
[4-[6-bromo-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2-fluorobenzoate
CID 5038944
3-[6-bromo-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]-4-hydroxychromen-2-one
CID 132838692
[4-[6-bromo-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] 2-fluorobenzoate
CID 42658934
[4-[6-bromo-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] 4-methoxybenzoate
CID 4521142
6-chloro-N-(3-methylbutyl)-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine
CID 861017
6-chloro-2-(4-ethoxyphenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 3694158
6-bromo-N-tert-butyl-2-(2-chlorophenyl)imidazo[1,2-a]pyridin-3-amine
CID 3900108
N-(4-chlorophenyl)-6-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine
CID 7012493
6-chloro-N-(2-methylphenyl)-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine
CID 15989623
2-(3-methoxyphenyl)-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 3987356

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-pyridin-3-yl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 6-bromo-2-pyridin-3-yl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine (CID 3890399) is 6-bromo-2-pyridin-3-yl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 6-bromo-2-pyridin-3-yl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 6-bromo-2-pyridin-3-yl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine is CC(C)(C)CC(C)(C)Nc1c(-c2cccnc2)nc2ccc(Br)cn12.
What is the InChIKey of 6-bromo-2-pyridin-3-yl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is KQEIAPUEWPJGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN4/c1-19(2,3)13-20(4,5)24-18-17(14-7-6-10-22-11-14)23-16-9-8-15(21)12-25(16)18/h6-12,24H,13H2,1-5H3.
What are the key properties of 6-bromo-2-pyridin-3-yl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine?
6-bromo-2-pyridin-3-yl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 401.35 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-pyridin-3-yl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 3890399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).