N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

C24H20N4O3S — CID 56584385

IUPACN-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide
SMILESO=C1CCSc2ccc(C(=O)Nc3cccc(OCc4cn5ccccc5n4)c3)cc2N1
InChIInChI=1S/C24H20N4O3S/c29-23-9-11-32-21-8-7-16(12-20(21)27-23)24(30)26-17-4-3-5-19(13-17)31-15-18-14-28-10-2-1-6-22(28)25-18/h1-8,10,12-14H,9,11,15H2,(H,26,30)(H,27,29)
InChIKeyKIWGESJBKWXZPR-UHFFFAOYSA-N
MW444.52 g/mol
LogP4.60
Rot. Bonds5

About N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide (PubChem CID 56584385) has the molecular formula C24H20N4O3S and a molecular weight of 444.52 g/mol. Its IUPAC name is N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide.

Molecular Properties

Compound NameN-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide
PubChem CID56584385
Molecular FormulaC24H20N4O3S
Molecular Weight444.52 g/mol
Exact Mass444.13
IUPAC NameN-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide
SMILESO=C1CCSc2ccc(C(=O)Nc3cccc(OCc4cn5ccccc5n4)c3)cc2N1
InChIInChI=1S/C24H20N4O3S/c29-23-9-11-32-21-8-7-16(12-20(21)27-23)24(30)26-17-4-3-5-19(13-17)31-15-18-14-28-10-2-1-6-22(28)25-18/h1-8,10,12-14H,9,11,15H2,(H,26,30)(H,27,29)
InChIKeyKIWGESJBKWXZPR-UHFFFAOYSA-N
XLogP4.60
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-difluoro-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56530610
4-ethyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56530964
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
CID 154863362
4-[ethyl(methyl)amino]-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56530641
N-(4-ethylphenyl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 24542057
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-methylsulfonylbenzamide
CID 56530937
4-(diethylaminomethyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56530632
methyl 2-[[3-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]benzoyl]amino]acetate
CID 55848603
4-[(carbamoylamino)methyl]-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56584450
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]naphthalene-1-carboxamide
CID 56537813
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 27711748
N-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]benzamide
CID 56582393

Frequently Asked Questions

What is the IUPAC name of N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide?
The IUPAC name of N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide (CID 56584385) is N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide.
What is the SMILES notation for N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide?
The canonical SMILES for N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide is O=C1CCSc2ccc(C(=O)Nc3cccc(OCc4cn5ccccc5n4)c3)cc2N1.
What is the InChIKey of N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide?
The InChIKey is KIWGESJBKWXZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3S/c29-23-9-11-32-21-8-7-16(12-20(21)27-23)24(30)26-17-4-3-5-19(13-17)31-15-18-14-28-10-2-1-6-22(28)25-18/h1-8,10,12-14H,9,11,15H2,(H,26,30)(H,27,29).
What are the key properties of N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide?
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide has a molecular weight of 444.52 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide is sourced from PubChem (CID 56584385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).