8-N-[(6-chloro-3-pyridinyl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-N-[(6-phenyl-3-pyridinyl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide

C56H57ClN10O6S2 — CID 157435354

IUPAC8-N-[(6-chloro-3-pyridinyl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-N-[(6-phenyl-3-pyridinyl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
SMILESCC(C)C[C@@H](CO)NC(=O)c1c(-c2ccsc2)nc2c(C(=O)NCc3ccc(-c4ccccc4)nc3)cccn12.CC(C)C[C@@H](CO)NC(=O)c1c(-c2ccsc2)nc2c(C(=O)NCc3ccc(Cl)nc3)cccn12
InChIInChI=1S/C31H31N5O3S.C25H26ClN5O3S/c1-20(2)15-24(18-37)34-31(39)28-27(23-12-14-40-19-23)35-29-25(9-6-13-36(28)29)30(38)33-17-21-10-11-26(32-16-21)22-7-4-3-5-8-22;1-15(2)10-18(13-32)29-25(34)22-21(17-7-9-35-14-17)30-23-19(4-3-8-31(22)23)24(33)28-12-16-5-6-20(26)27-11-16/h3-14,16,19-20,24,37H,15,17-18H2,1-2H3,(H,33,38)(H,34,39);3-9,11,14-15,18,32H,10,12-13H2,1-2H3,(H,28,33)(H,29,34)/t24-;18-/m00/s1
InChIKeyBRAMIFLWPRBTDI-DIZOHVQXSA-N
MW1065.72 g/mol
LogP9.37
Rot. Bonds19

About 8-N-[(6-chloro-3-pyridinyl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-N-[(6-phenyl-3-pyridinyl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide

8-N-[(6-chloro-3-pyridinyl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-N-[(6-phenyl-3-pyridinyl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide (PubChem CID 157435354) has the molecular formula C56H57ClN10O6S2 and a molecular weight of 1065.72 g/mol. Its IUPAC name is 8-N-[(6-chloro-3-pyridinyl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-N-[(6-phenyl-3-pyridinyl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide.

Molecular Properties

Compound Name8-N-[(6-chloro-3-pyridinyl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-N-[(6-phenyl-3-pyridinyl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
PubChem CID157435354
Molecular FormulaC56H57ClN10O6S2
Molecular Weight1065.72 g/mol
Exact Mass1064.36
IUPAC Name8-N-[(6-chloro-3-pyridinyl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-N-[(6-phenyl-3-pyridinyl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
SMILESCC(C)C[C@@H](CO)NC(=O)c1c(-c2ccsc2)nc2c(C(=O)NCc3ccc(-c4ccccc4)nc3)cccn12.CC(C)C[C@@H](CO)NC(=O)c1c(-c2ccsc2)nc2c(C(=O)NCc3ccc(Cl)nc3)cccn12
InChIInChI=1S/C31H31N5O3S.C25H26ClN5O3S/c1-20(2)15-24(18-37)34-31(39)28-27(23-12-14-40-19-23)35-29-25(9-6-13-36(28)29)30(38)33-17-21-10-11-26(32-16-21)22-7-4-3-5-8-22;1-15(2)10-18(13-32)29-25(34)22-21(17-7-9-35-14-17)30-23-19(4-3-8-31(22)23)24(33)28-12-16-5-6-20(26)27-11-16/h3-14,16,19-20,24,37H,15,17-18H2,1-2H3,(H,33,38)(H,34,39);3-9,11,14-15,18,32H,10,12-13H2,1-2H3,(H,28,33)(H,29,34)/t24-;18-/m00/s1
InChIKeyBRAMIFLWPRBTDI-DIZOHVQXSA-N
XLogP9.37
TPSA217.24 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds19
Heavy Atoms75
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001065.72
LogP ≤ 59.37
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 8-N-[(6-chloro-3-pyridinyl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-N-[(6-phenyl-3-pyridinyl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide with MolForge

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Related Compounds

methyl 2-(3-chloro-4-fluorophenyl)-2-[[3-[[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]acetate
CID 25094679
3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-yl-8-N-[[6-(trifluoromethyl)pyridin-3-yl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide
CID 25097785
3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-yl-8-N-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide
CID 59588407
8-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
CID 59588413
8-N-[(3-chloro-4-fluorophenyl)methyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
CID 59588422
8-N-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
CID 59588465
8-N-[(3,4-difluorophenyl)methyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
CID 59588596
8-N-[[4-[2-(4-fluorophenyl)pyrrolidin-1-yl]phenyl]methyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
CID 59588637
8-N-[[6-(difluoromethyl)-3-pyridinyl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
CID 70296137
8-N-[1-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
CID 143716824
[2-chloro-4-[4-[2-chloro-4-(3-fluorophenyl)-5-(imidazo[1,2-a]pyridine-6-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-7-yl]-2-fluorophenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
CID 146414431
8-N-[[4-[2-(4-fluorophenyl)pyrrolidin-1-yl]phenyl]methyl]-3-N-[(2R)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
CID 25097249

Frequently Asked Questions

What is the IUPAC name of 8-N-[(6-chloro-3-pyridinyl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-N-[(6-phenyl-3-pyridinyl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
The IUPAC name of 8-N-[(6-chloro-3-pyridinyl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-N-[(6-phenyl-3-pyridinyl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide (CID 157435354) is 8-N-[(6-chloro-3-pyridinyl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-N-[(6-phenyl-3-pyridinyl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide.
What is the SMILES notation for 8-N-[(6-chloro-3-pyridinyl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-N-[(6-phenyl-3-pyridinyl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
The canonical SMILES for 8-N-[(6-chloro-3-pyridinyl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-N-[(6-phenyl-3-pyridinyl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide is CC(C)C[C@@H](CO)NC(=O)c1c(-c2ccsc2)nc2c(C(=O)NCc3ccc(-c4ccccc4)nc3)cccn12.CC(C)C[C@@H](CO)NC(=O)c1c(-c2ccsc2)nc2c(C(=O)NCc3ccc(Cl)nc3)cccn12.
What is the InChIKey of 8-N-[(6-chloro-3-pyridinyl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-N-[(6-phenyl-3-pyridinyl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
The InChIKey is BRAMIFLWPRBTDI-DIZOHVQXSA-N. The full InChI is InChI=1S/C31H31N5O3S.C25H26ClN5O3S/c1-20(2)15-24(18-37)34-31(39)28-27(23-12-14-40-19-23)35-29-25(9-6-13-36(28)29)30(38)33-17-21-10-11-26(32-16-21)22-7-4-3-5-8-22;1-15(2)10-18(13-32)29-25(34)22-21(17-7-9-35-14-17)30-23-19(4-3-8-31(22)23)24(33)28-12-16-5-6-20(26)27-11-16/h3-14,16,19-20,24,37H,15,17-18H2,1-2H3,(H,33,38)(H,34,39);3-9,11,14-15,18,32H,10,12-13H2,1-2H3,(H,28,33)(H,29,34)/t24-;18-/m00/s1.
What are the key properties of 8-N-[(6-chloro-3-pyridinyl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-N-[(6-phenyl-3-pyridinyl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
8-N-[(6-chloro-3-pyridinyl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-N-[(6-phenyl-3-pyridinyl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide has a molecular weight of 1065.72 g/mol, XLogP of 9.37, 19 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[(6-chloro-3-pyridinyl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-N-[(6-phenyl-3-pyridinyl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide is sourced from PubChem (CID 157435354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).