2-[[2-(4-bromo-2-chloro-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine

C19H18BrClFN3O — CID 154965270

IUPAC2-[[2-(4-bromo-2-chloro-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine
SMILESCc1ccn2c(CC3CNCCO3)c(-c3cc(F)c(Br)cc3Cl)nc2c1
InChIInChI=1S/C19H18BrClFN3O/c1-11-2-4-25-17(7-12-10-23-3-5-26-12)19(24-18(25)6-11)13-8-16(22)14(20)9-15(13)21/h2,4,6,8-9,12,23H,3,5,7,10H2,1H3
InChIKeyWWOOWQKBZCVJQW-UHFFFAOYSA-N
MW438.73 g/mol
LogP4.40
Rot. Bonds3

About 2-[[2-(4-bromo-2-chloro-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine

2-[[2-(4-bromo-2-chloro-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine (PubChem CID 154965270) has the molecular formula C19H18BrClFN3O and a molecular weight of 438.73 g/mol. Its IUPAC name is 2-[[2-(4-bromo-2-chloro-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine.

Molecular Properties

Compound Name2-[[2-(4-bromo-2-chloro-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine
PubChem CID154965270
Molecular FormulaC19H18BrClFN3O
Molecular Weight438.73 g/mol
Exact Mass437.03
IUPAC Name2-[[2-(4-bromo-2-chloro-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine
SMILESCc1ccn2c(CC3CNCCO3)c(-c3cc(F)c(Br)cc3Cl)nc2c1
InChIInChI=1S/C19H18BrClFN3O/c1-11-2-4-25-17(7-12-10-23-3-5-26-12)19(24-18(25)6-11)13-8-16(22)14(20)9-15(13)21/h2,4,6,8-9,12,23H,3,5,7,10H2,1H3
InChIKeyWWOOWQKBZCVJQW-UHFFFAOYSA-N
XLogP4.40
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.73
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[2-(4-bromo-2,3,6-trifluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;hydrochloride
CID 162374967
(2S)-2-[[2-(4-bromo-2-chloro-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 175046957
methyl 2-[[2-(4-bromo-2-chloro-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 154965303
tert-butyl 2-[[2-(4-bromo-2-chloro-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 166775129
(2S)-2-[[2-(2,6-difluoro-4-methylsulfonylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine
CID 154964970
1-[3-fluoro-5-methyl-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]ethanone
CID 177064297
1-[3,5-difluoro-4-[7-methyl-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazole-3-carboxylic acid
CID 154965100
1-[3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazole-3-carboxylic acid
CID 166775025
N-cyclopropyl-2,3,5-trifluoro-4-[7-methyl-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 162375023
(2S)-2-[[2-(2-chloro-4-chlorosulfonyl-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 166769612
2-(4-bromo-2-fluoro-6-methylphenyl)-7-methyl-3-(oxiran-2-ylmethyl)imidazo[1,2-a]pyridine
CID 177064329
methyl 2-[[2-(2-chloro-4-chlorosulfanyl-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 166775039

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromo-2-chloro-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine?
The IUPAC name of 2-[[2-(4-bromo-2-chloro-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine (CID 154965270) is 2-[[2-(4-bromo-2-chloro-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine.
What is the SMILES notation for 2-[[2-(4-bromo-2-chloro-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine?
The canonical SMILES for 2-[[2-(4-bromo-2-chloro-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine is Cc1ccn2c(CC3CNCCO3)c(-c3cc(F)c(Br)cc3Cl)nc2c1.
What is the InChIKey of 2-[[2-(4-bromo-2-chloro-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine?
The InChIKey is WWOOWQKBZCVJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrClFN3O/c1-11-2-4-25-17(7-12-10-23-3-5-26-12)19(24-18(25)6-11)13-8-16(22)14(20)9-15(13)21/h2,4,6,8-9,12,23H,3,5,7,10H2,1H3.
What are the key properties of 2-[[2-(4-bromo-2-chloro-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine?
2-[[2-(4-bromo-2-chloro-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine has a molecular weight of 438.73 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromo-2-chloro-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine is sourced from PubChem (CID 154965270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).