(2S)-2-chloro-N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide

C18H18ClN3O — CID 93016859

IUPAC(2S)-2-chloro-N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
SMILESCc1ccc(-c2nc3cc(C)ccn3c2NC(=O)[C@H](C)Cl)cc1
InChIInChI=1S/C18H18ClN3O/c1-11-4-6-14(7-5-11)16-17(21-18(23)13(3)19)22-9-8-12(2)10-15(22)20-16/h4-10,13H,1-3H3,(H,21,23)/t13-/m0/s1
InChIKeyZDDHGQKFVNCYRD-ZDUSSCGKSA-N
MW327.82 g/mol
LogP4.18
Rot. Bonds3

About (2S)-2-chloro-N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide

(2S)-2-chloro-N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide (PubChem CID 93016859) has the molecular formula C18H18ClN3O and a molecular weight of 327.82 g/mol. Its IUPAC name is (2S)-2-chloro-N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-chloro-N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
PubChem CID93016859
Molecular FormulaC18H18ClN3O
Molecular Weight327.82 g/mol
Exact Mass327.11
IUPAC Name(2S)-2-chloro-N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
SMILESCc1ccc(-c2nc3cc(C)ccn3c2NC(=O)[C@H](C)Cl)cc1
InChIInChI=1S/C18H18ClN3O/c1-11-4-6-14(7-5-11)16-17(21-18(23)13(3)19)22-9-8-12(2)10-15(22)20-16/h4-10,13H,1-3H3,(H,21,23)/t13-/m0/s1
InChIKeyZDDHGQKFVNCYRD-ZDUSSCGKSA-N
XLogP4.18
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-chloro-N-[2-(3,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]propanamide
CID 93016814
N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]cyclopropanecarboxamide
CID 42694105
ethyl N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]carbamate
CID 23938620
3,5,5-trimethyl-N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]hexanamide
CID 42694073
N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)pyridine-2-carboxamide
CID 17417375
2-chloro-N-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 42693936
2,2-dichloro-N-[2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide
CID 42693842
N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenoxyacetamide
CID 42694072
N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-methylbut-2-enamide
CID 30708646
3,5-dimethoxy-N-[2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]benzamide
CID 42693981
2-ethyl-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]hexanamide
CID 42694164
(2R)-2-chloro-N-[2-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]propanamide
CID 93016902

Frequently Asked Questions

What is the IUPAC name of (2S)-2-chloro-N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide?
The IUPAC name of (2S)-2-chloro-N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide (CID 93016859) is (2S)-2-chloro-N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide.
What is the SMILES notation for (2S)-2-chloro-N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide?
The canonical SMILES for (2S)-2-chloro-N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide is Cc1ccc(-c2nc3cc(C)ccn3c2NC(=O)[C@H](C)Cl)cc1.
What is the InChIKey of (2S)-2-chloro-N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide?
The InChIKey is ZDDHGQKFVNCYRD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18ClN3O/c1-11-4-6-14(7-5-11)16-17(21-18(23)13(3)19)22-9-8-12(2)10-15(22)20-16/h4-10,13H,1-3H3,(H,21,23)/t13-/m0/s1.
What are the key properties of (2S)-2-chloro-N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide?
(2S)-2-chloro-N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide has a molecular weight of 327.82 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-chloro-N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide is sourced from PubChem (CID 93016859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).