(3S)-N-[(2R)-butan-2-yl]-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanamide

C21H24ClN3O2 — CID 7218359

IUPAC(3S)-N-[(2R)-butan-2-yl]-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanamide
SMILESCC[C@@H](C)NC(=O)C[C@@H](c1ccccc1OC)c1cnc2ccc(Cl)cn12
InChIInChI=1S/C21H24ClN3O2/c1-4-14(2)24-21(26)11-17(16-7-5-6-8-19(16)27-3)18-12-23-20-10-9-15(22)13-25(18)20/h5-10,12-14,17H,4,11H2,1-3H3,(H,24,26)/t14-,17+/m1/s1
InChIKeyFMRNXAAMFVYDGG-PBHICJAKSA-N
MW385.90 g/mol
LogP4.43
Rot. Bonds7

About (3S)-N-[(2R)-butan-2-yl]-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanamide

(3S)-N-[(2R)-butan-2-yl]-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanamide (PubChem CID 7218359) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is (3S)-N-[(2R)-butan-2-yl]-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(3S)-N-[(2R)-butan-2-yl]-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanamide
PubChem CID7218359
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name(3S)-N-[(2R)-butan-2-yl]-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanamide
SMILESCC[C@@H](C)NC(=O)C[C@@H](c1ccccc1OC)c1cnc2ccc(Cl)cn12
InChIInChI=1S/C21H24ClN3O2/c1-4-14(2)24-21(26)11-17(16-7-5-6-8-19(16)27-3)18-12-23-20-10-9-15(22)13-25(18)20/h5-10,12-14,17H,4,11H2,1-3H3,(H,24,26)/t14-,17+/m1/s1
InChIKeyFMRNXAAMFVYDGG-PBHICJAKSA-N
XLogP4.43
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-fluorophenyl)-3-(2-methoxyphenyl)propanamide
CID 4290443
2-[[(3S)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanoyl]amino]ethyl-dimethylazanium
CID 7332222
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-methoxyphenyl)propan-1-one
CID 4191341
3-(2-methoxyphenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-N-(4-phenylbutan-2-yl)propanamide
CID 4155057
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)propanamide
CID 3570179
N-butan-2-yl-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 3715906
3-imidazo[1,2-a]pyridin-3-yl-3-(2-methoxyphenyl)-N-(2-phenylethyl)propanamide
CID 42782038
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 42783669
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 42783702
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 3378409
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide
CID 4611202
(3R)-N-(2-fluorophenyl)-3-(2-methoxyphenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 7332181

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2R)-butan-2-yl]-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanamide?
The IUPAC name of (3S)-N-[(2R)-butan-2-yl]-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanamide (CID 7218359) is (3S)-N-[(2R)-butan-2-yl]-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanamide.
What is the SMILES notation for (3S)-N-[(2R)-butan-2-yl]-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanamide?
The canonical SMILES for (3S)-N-[(2R)-butan-2-yl]-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanamide is CC[C@@H](C)NC(=O)C[C@@H](c1ccccc1OC)c1cnc2ccc(Cl)cn12.
What is the InChIKey of (3S)-N-[(2R)-butan-2-yl]-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanamide?
The InChIKey is FMRNXAAMFVYDGG-PBHICJAKSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-4-14(2)24-21(26)11-17(16-7-5-6-8-19(16)27-3)18-12-23-20-10-9-15(22)13-25(18)20/h5-10,12-14,17H,4,11H2,1-3H3,(H,24,26)/t14-,17+/m1/s1.
What are the key properties of (3S)-N-[(2R)-butan-2-yl]-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanamide?
(3S)-N-[(2R)-butan-2-yl]-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanamide has a molecular weight of 385.90 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2R)-butan-2-yl]-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 7218359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).