5-(2,8-diphenylimidazo[1,2-a]pyridin-6-yl)-N-propan-2-yl-1,3-thiazol-2-amine;ethyl 8-(2-chlorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate

C48H44ClN7O2S2 — CID 161197984

IUPAC5-(2,8-diphenylimidazo[1,2-a]pyridin-6-yl)-N-propan-2-yl-1,3-thiazol-2-amine;ethyl 8-(2-chlorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCC(C)Nc1ncc(-c2cc(-c3ccccc3)c3nc(-c4ccccc4)cn3c2)s1.CCOC(=O)c1cn2cc(-c3cnc(CC(C)C)s3)cc(-c3ccccc3Cl)c2n1
InChIInChI=1S/C25H22N4S.C23H22ClN3O2S/c1-17(2)27-25-26-14-23(30-25)20-13-21(18-9-5-3-6-10-18)24-28-22(16-29(24)15-20)19-11-7-4-8-12-19;1-4-29-23(28)19-13-27-12-15(20-11-25-21(30-20)9-14(2)3)10-17(22(27)26-19)16-7-5-6-8-18(16)24/h3-17H,1-2H3,(H,26,27);5-8,10-14H,4,9H2,1-3H3
InChIKeyUUPHYDPZFHOIRD-UHFFFAOYSA-N
MW850.51 g/mol
LogP12.77
Rot. Bonds11

About 5-(2,8-diphenylimidazo[1,2-a]pyridin-6-yl)-N-propan-2-yl-1,3-thiazol-2-amine;ethyl 8-(2-chlorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate

5-(2,8-diphenylimidazo[1,2-a]pyridin-6-yl)-N-propan-2-yl-1,3-thiazol-2-amine;ethyl 8-(2-chlorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 161197984) has the molecular formula C48H44ClN7O2S2 and a molecular weight of 850.51 g/mol. Its IUPAC name is 5-(2,8-diphenylimidazo[1,2-a]pyridin-6-yl)-N-propan-2-yl-1,3-thiazol-2-amine;ethyl 8-(2-chlorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Name5-(2,8-diphenylimidazo[1,2-a]pyridin-6-yl)-N-propan-2-yl-1,3-thiazol-2-amine;ethyl 8-(2-chlorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID161197984
Molecular FormulaC48H44ClN7O2S2
Molecular Weight850.51 g/mol
Exact Mass849.27
IUPAC Name5-(2,8-diphenylimidazo[1,2-a]pyridin-6-yl)-N-propan-2-yl-1,3-thiazol-2-amine;ethyl 8-(2-chlorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCC(C)Nc1ncc(-c2cc(-c3ccccc3)c3nc(-c4ccccc4)cn3c2)s1.CCOC(=O)c1cn2cc(-c3cnc(CC(C)C)s3)cc(-c3ccccc3Cl)c2n1
InChIInChI=1S/C25H22N4S.C23H22ClN3O2S/c1-17(2)27-25-26-14-23(30-25)20-13-21(18-9-5-3-6-10-18)24-28-22(16-29(24)15-20)19-11-7-4-8-12-19;1-4-29-23(28)19-13-27-12-15(20-11-25-21(30-20)9-14(2)3)10-17(22(27)26-19)16-7-5-6-8-18(16)24/h3-17H,1-2H3,(H,26,27);5-8,10-14H,4,9H2,1-3H3
InChIKeyUUPHYDPZFHOIRD-UHFFFAOYSA-N
XLogP12.77
TPSA98.71 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500850.51
LogP ≤ 512.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 5-(2,8-diphenylimidazo[1,2-a]pyridin-6-yl)-N-propan-2-yl-1,3-thiazol-2-amine;ethyl 8-(2-chlorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate with MolForge

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Related Compounds

Ethyl 8-(2-fluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate
CID 58207925
Ethyl 8-(2,4-difluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate
CID 58207953
ethyl 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-(2-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 58207974
Ethyl 6-(2-(isopropylamino)thiazol-5-yl)-8-phenylimidazo[1,2-a]pyridine-2-carboxylate
CID 58207876
Ethyl 6-[2-(1-ethoxypropan-2-ylamino)-1,3-thiazol-5-yl]-8-phenylimidazo[1,2-a]pyridine-2-carboxylate
CID 58207896
8-(2-Chlorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 58207897
Ethyl 6-[2-(butylamino)-1,3-thiazol-5-yl]-8-phenylimidazo[1,2-a]pyridine-2-carboxylate
CID 58207910
ethyl 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-phenylimidazo[1,2-a]pyridine-2-carboxylate
CID 58207946
Ethyl 6-(2-aminothiazol-5-yl)-8-phenylimidazo[1,2-a]pyridine-2-carboxylate
CID 58207980
ethyl 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-(2-methylphenyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 58208000
Ethyl 8-(2-chlorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate
CID 58208028
Ethyl 8-(2-chlorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate
CID 58523976

Frequently Asked Questions

What is the IUPAC name of 5-(2,8-diphenylimidazo[1,2-a]pyridin-6-yl)-N-propan-2-yl-1,3-thiazol-2-amine;ethyl 8-(2-chlorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of 5-(2,8-diphenylimidazo[1,2-a]pyridin-6-yl)-N-propan-2-yl-1,3-thiazol-2-amine;ethyl 8-(2-chlorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate (CID 161197984) is 5-(2,8-diphenylimidazo[1,2-a]pyridin-6-yl)-N-propan-2-yl-1,3-thiazol-2-amine;ethyl 8-(2-chlorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for 5-(2,8-diphenylimidazo[1,2-a]pyridin-6-yl)-N-propan-2-yl-1,3-thiazol-2-amine;ethyl 8-(2-chlorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for 5-(2,8-diphenylimidazo[1,2-a]pyridin-6-yl)-N-propan-2-yl-1,3-thiazol-2-amine;ethyl 8-(2-chlorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate is CC(C)Nc1ncc(-c2cc(-c3ccccc3)c3nc(-c4ccccc4)cn3c2)s1.CCOC(=O)c1cn2cc(-c3cnc(CC(C)C)s3)cc(-c3ccccc3Cl)c2n1.
What is the InChIKey of 5-(2,8-diphenylimidazo[1,2-a]pyridin-6-yl)-N-propan-2-yl-1,3-thiazol-2-amine;ethyl 8-(2-chlorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is UUPHYDPZFHOIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4S.C23H22ClN3O2S/c1-17(2)27-25-26-14-23(30-25)20-13-21(18-9-5-3-6-10-18)24-28-22(16-29(24)15-20)19-11-7-4-8-12-19;1-4-29-23(28)19-13-27-12-15(20-11-25-21(30-20)9-14(2)3)10-17(22(27)26-19)16-7-5-6-8-18(16)24/h3-17H,1-2H3,(H,26,27);5-8,10-14H,4,9H2,1-3H3.
What are the key properties of 5-(2,8-diphenylimidazo[1,2-a]pyridin-6-yl)-N-propan-2-yl-1,3-thiazol-2-amine;ethyl 8-(2-chlorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate?
5-(2,8-diphenylimidazo[1,2-a]pyridin-6-yl)-N-propan-2-yl-1,3-thiazol-2-amine;ethyl 8-(2-chlorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 850.51 g/mol, XLogP of 12.77, 11 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,8-diphenylimidazo[1,2-a]pyridin-6-yl)-N-propan-2-yl-1,3-thiazol-2-amine;ethyl 8-(2-chlorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 161197984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).