(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate

C19H18ClN3O3S — CID 40672158

IUPAC(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate
SMILESCc1sc(NC(=O)C2CC2)c(C(=O)OCc2cn3cc(Cl)ccc3n2)c1C
InChIInChI=1S/C19H18ClN3O3S/c1-10-11(2)27-18(22-17(24)12-3-4-12)16(10)19(25)26-9-14-8-23-7-13(20)5-6-15(23)21-14/h5-8,12H,3-4,9H2,1-2H3,(H,22,24)
InChIKeyIDAYMRMAWJVCEK-UHFFFAOYSA-N
MW403.89 g/mol
LogP4.37
Rot. Bonds5

About (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate

(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate (PubChem CID 40672158) has the molecular formula C19H18ClN3O3S and a molecular weight of 403.89 g/mol. Its IUPAC name is (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Name(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate
PubChem CID40672158
Molecular FormulaC19H18ClN3O3S
Molecular Weight403.89 g/mol
Exact Mass403.08
IUPAC Name(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate
SMILESCc1sc(NC(=O)C2CC2)c(C(=O)OCc2cn3cc(Cl)ccc3n2)c1C
InChIInChI=1S/C19H18ClN3O3S/c1-10-11(2)27-18(22-17(24)12-3-4-12)16(10)19(25)26-9-14-8-23-7-13(20)5-6-15(23)21-14/h5-8,12H,3-4,9H2,1-2H3,(H,22,24)
InChIKeyIDAYMRMAWJVCEK-UHFFFAOYSA-N
XLogP4.37
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate
CID 24562698
[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate
CID 31531807
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate
CID 46560858
ethyl 2-[(4-chlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 587143
[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate
CID 55377693
ethyl 5-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate
CID 55652041
(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-fluorobenzoate
CID 24686105
(1R,6R)-4-chloro-6-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate
CID 6981106
ethyl 6-chloroimidazo[1,2-a]pyridine-2-carboxylate;hydrobromide
CID 17389574
(2S)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-propanoylpiperidine-2-carboxamide
CID 94796177
ethyl 2-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 40840537
2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate
CID 7128933

Frequently Asked Questions

What is the IUPAC name of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate (CID 40672158) is (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate is Cc1sc(NC(=O)C2CC2)c(C(=O)OCc2cn3cc(Cl)ccc3n2)c1C.
What is the InChIKey of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is IDAYMRMAWJVCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3S/c1-10-11(2)27-18(22-17(24)12-3-4-12)16(10)19(25)26-9-14-8-23-7-13(20)5-6-15(23)21-14/h5-8,12H,3-4,9H2,1-2H3,(H,22,24).
What are the key properties of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate?
(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 403.89 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 40672158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).