6-bromo-N-(oxolan-2-ylmethyl)-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine

C17H17BrN4O — CID 3180938

IUPAC6-bromo-N-(oxolan-2-ylmethyl)-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine
SMILESBrc1ccc2nc(-c3cccnc3)c(NCC3CCCO3)n2c1
InChIInChI=1S/C17H17BrN4O/c18-13-5-6-15-21-16(12-3-1-7-19-9-12)17(22(15)11-13)20-10-14-4-2-8-23-14/h1,3,5-7,9,11,14,20H,2,4,8,10H2
InChIKeyMHELKOUCQWTLSD-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.75
Rot. Bonds4

About 6-bromo-N-(oxolan-2-ylmethyl)-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine

6-bromo-N-(oxolan-2-ylmethyl)-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine (PubChem CID 3180938) has the molecular formula C17H17BrN4O and a molecular weight of 373.25 g/mol. Its IUPAC name is 6-bromo-N-(oxolan-2-ylmethyl)-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-N-(oxolan-2-ylmethyl)-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine
PubChem CID3180938
Molecular FormulaC17H17BrN4O
Molecular Weight373.25 g/mol
Exact Mass372.06
IUPAC Name6-bromo-N-(oxolan-2-ylmethyl)-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine
SMILESBrc1ccc2nc(-c3cccnc3)c(NCC3CCCO3)n2c1
InChIInChI=1S/C17H17BrN4O/c18-13-5-6-15-21-16(12-3-1-7-19-9-12)17(22(15)11-13)20-10-14-4-2-8-23-14/h1,3,5-7,9,11,14,20H,2,4,8,10H2
InChIKeyMHELKOUCQWTLSD-UHFFFAOYSA-N
XLogP3.75
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-bromo-N-(oxolan-2-ylmethyl)-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine with MolForge

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Related Compounds

6-bromo-N-[[(2S)-oxolan-2-yl]methyl]-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine
CID 1154351
6-bromo-2-[4-(dimethylamino)phenyl]-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-3-amine;hydrochloride
CID 171667882
6-chloro-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-amine
CID 16669375
4-[6-bromo-3-[[(2S)-oxolan-2-yl]methylamino]imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol
CID 1154310
6-chloro-2-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]imidazo[1,2-a]pyridin-3-amine
CID 1144698
6-bromo-2-pyridin-3-yl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 3890399
2-[3-[[(2S)-oxolan-2-yl]methylamino]imidazo[1,2-a]pyrazin-2-yl]phenol
CID 136681982
6-chloro-N-(3-methylbutyl)-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine
CID 861017
N-[[(2S)-oxolan-2-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 2546848
2-ethoxy-4-[3-[[(2R)-oxolan-2-yl]methylamino]imidazo[1,2-a]pyrazin-2-yl]phenol
CID 136691347
5-[[(2R)-oxolan-2-yl]methylamino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile
CID 51699394
4-[8-methyl-3-[[(2R)-oxolan-2-yl]methylamino]imidazo[1,2-a]pyridin-2-yl]phenol
CID 1154229

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(oxolan-2-ylmethyl)-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 6-bromo-N-(oxolan-2-ylmethyl)-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine (CID 3180938) is 6-bromo-N-(oxolan-2-ylmethyl)-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 6-bromo-N-(oxolan-2-ylmethyl)-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 6-bromo-N-(oxolan-2-ylmethyl)-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine is Brc1ccc2nc(-c3cccnc3)c(NCC3CCCO3)n2c1.
What is the InChIKey of 6-bromo-N-(oxolan-2-ylmethyl)-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is MHELKOUCQWTLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4O/c18-13-5-6-15-21-16(12-3-1-7-19-9-12)17(22(15)11-13)20-10-14-4-2-8-23-14/h1,3,5-7,9,11,14,20H,2,4,8,10H2.
What are the key properties of 6-bromo-N-(oxolan-2-ylmethyl)-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine?
6-bromo-N-(oxolan-2-ylmethyl)-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 373.25 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(oxolan-2-ylmethyl)-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 3180938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).