(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl (2S,3S)-2-benzamido-3-methylpentanoate

C21H22ClN3O3 — CID 25405404

IUPAC(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl (2S,3S)-2-benzamido-3-methylpentanoate
SMILESCC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)OCc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C21H22ClN3O3/c1-3-14(2)19(24-20(26)15-7-5-4-6-8-15)21(27)28-13-17-12-25-11-16(22)9-10-18(25)23-17/h4-12,14,19H,3,13H2,1-2H3,(H,24,26)/t14-,19-/m0/s1
InChIKeyXXIKBLQJQWNCCF-LIRRHRJNSA-N
MW399.88 g/mol
LogP3.88
Rot. Bonds7

About (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl (2S,3S)-2-benzamido-3-methylpentanoate

(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl (2S,3S)-2-benzamido-3-methylpentanoate (PubChem CID 25405404) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl (2S,3S)-2-benzamido-3-methylpentanoate.

Molecular Properties

Compound Name(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl (2S,3S)-2-benzamido-3-methylpentanoate
PubChem CID25405404
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC Name(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl (2S,3S)-2-benzamido-3-methylpentanoate
SMILESCC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)OCc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C21H22ClN3O3/c1-3-14(2)19(24-20(26)15-7-5-4-6-8-15)21(27)28-13-17-12-25-11-16(22)9-10-18(25)23-17/h4-12,14,19H,3,13H2,1-2H3,(H,24,26)/t14-,19-/m0/s1
InChIKeyXXIKBLQJQWNCCF-LIRRHRJNSA-N
XLogP3.88
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S,3S)-2-benzamido-3-methylpentanoate
CID 13148833
(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate
CID 16565486
N-[(2S,3S)-1-[2-(4-chlorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 7613124
[1-(difluoromethyl)benzimidazol-2-yl]methyl (2S,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate
CID 16625088
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (2S,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate
CID 55925878
(4-methoxyphenyl)methyl (2S,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate
CID 16578612
(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-fluorobenzoate
CID 24686105
(1-cyanoindolizin-2-yl)methyl 2-[(4-chlorobenzoyl)amino]-3-methylpentanoate
CID 42936709
(2R,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoic acid
CID 2363261
cyanomethyl 2-benzamido-3-methylpentanoate
CID 90672841
(2-amino-2-oxoethyl) (2R,3R)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate
CID 2455107
(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate
CID 41492662

Frequently Asked Questions

What is the IUPAC name of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl (2S,3S)-2-benzamido-3-methylpentanoate?
The IUPAC name of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl (2S,3S)-2-benzamido-3-methylpentanoate (CID 25405404) is (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl (2S,3S)-2-benzamido-3-methylpentanoate.
What is the SMILES notation for (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl (2S,3S)-2-benzamido-3-methylpentanoate?
The canonical SMILES for (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl (2S,3S)-2-benzamido-3-methylpentanoate is CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)OCc1cn2cc(Cl)ccc2n1.
What is the InChIKey of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl (2S,3S)-2-benzamido-3-methylpentanoate?
The InChIKey is XXIKBLQJQWNCCF-LIRRHRJNSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c1-3-14(2)19(24-20(26)15-7-5-4-6-8-15)21(27)28-13-17-12-25-11-16(22)9-10-18(25)23-17/h4-12,14,19H,3,13H2,1-2H3,(H,24,26)/t14-,19-/m0/s1.
What are the key properties of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl (2S,3S)-2-benzamido-3-methylpentanoate?
(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl (2S,3S)-2-benzamido-3-methylpentanoate has a molecular weight of 399.88 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl (2S,3S)-2-benzamido-3-methylpentanoate is sourced from PubChem (CID 25405404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).