8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N-(2-hydroxy-2-pyridin-3-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide

C28H23N7O3S2 — CID 59588520

IUPAC8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N-(2-hydroxy-2-pyridin-3-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
SMILESNc1nc2ccc(CNC(=O)c3cccn4c(C(=O)NCC(O)c5cccnc5)c(-c5ccsc5)nc34)cc2s1
InChIInChI=1S/C28H23N7O3S2/c29-28-33-20-6-5-16(11-22(20)40-28)12-31-26(37)19-4-2-9-35-24(23(34-25(19)35)18-7-10-39-15-18)27(38)32-14-21(36)17-3-1-8-30-13-17/h1-11,13,15,21,36H,12,14H2,(H2,29,33)(H,31,37)(H,32,38)
InChIKeyQDQBQTSKLIMMKL-UHFFFAOYSA-N
MW569.67 g/mol
LogP4.04
Rot. Bonds8

About 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N-(2-hydroxy-2-pyridin-3-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide

8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N-(2-hydroxy-2-pyridin-3-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide (PubChem CID 59588520) has the molecular formula C28H23N7O3S2 and a molecular weight of 569.67 g/mol. Its IUPAC name is 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N-(2-hydroxy-2-pyridin-3-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide.

Molecular Properties

Compound Name8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N-(2-hydroxy-2-pyridin-3-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
PubChem CID59588520
Molecular FormulaC28H23N7O3S2
Molecular Weight569.67 g/mol
Exact Mass569.13
IUPAC Name8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N-(2-hydroxy-2-pyridin-3-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
SMILESNc1nc2ccc(CNC(=O)c3cccn4c(C(=O)NCC(O)c5cccnc5)c(-c5ccsc5)nc34)cc2s1
InChIInChI=1S/C28H23N7O3S2/c29-28-33-20-6-5-16(11-22(20)40-28)12-31-26(37)19-4-2-9-35-24(23(34-25(19)35)18-7-10-39-15-18)27(38)32-14-21(36)17-3-1-8-30-13-17/h1-11,13,15,21,36H,12,14H2,(H2,29,33)(H,31,37)(H,32,38)
InChIKeyQDQBQTSKLIMMKL-UHFFFAOYSA-N
XLogP4.04
TPSA147.53 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.67
LogP ≤ 54.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N-(2-hydroxy-2-pyridin-3-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N-(2-hydroxy-2-pyridin-3-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
The IUPAC name of 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N-(2-hydroxy-2-pyridin-3-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide (CID 59588520) is 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N-(2-hydroxy-2-pyridin-3-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide.
What is the SMILES notation for 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N-(2-hydroxy-2-pyridin-3-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
The canonical SMILES for 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N-(2-hydroxy-2-pyridin-3-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide is Nc1nc2ccc(CNC(=O)c3cccn4c(C(=O)NCC(O)c5cccnc5)c(-c5ccsc5)nc34)cc2s1.
What is the InChIKey of 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N-(2-hydroxy-2-pyridin-3-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
The InChIKey is QDQBQTSKLIMMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N7O3S2/c29-28-33-20-6-5-16(11-22(20)40-28)12-31-26(37)19-4-2-9-35-24(23(34-25(19)35)18-7-10-39-15-18)27(38)32-14-21(36)17-3-1-8-30-13-17/h1-11,13,15,21,36H,12,14H2,(H2,29,33)(H,31,37)(H,32,38).
What are the key properties of 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N-(2-hydroxy-2-pyridin-3-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N-(2-hydroxy-2-pyridin-3-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide has a molecular weight of 569.67 g/mol, XLogP of 4.04, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N-(2-hydroxy-2-pyridin-3-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide is sourced from PubChem (CID 59588520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).