3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanamide;3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoic acid

C52H49Cl2N15O5 — CID 158096855

IUPAC3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanamide;3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoic acid
SMILESNC(=O)CCc1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)cc45)nn3)nc12.O=C(O)CCc1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)cc45)nn3)nc12
InChIInChI=1S/C26H25ClN8O2.C26H24ClN7O3/c27-19-7-8-33-15-29-21(23(33)10-19)4-5-24(36)22-14-35(32-31-22)13-20-12-34-11-18(16-1-2-16)9-17(26(34)30-20)3-6-25(28)37;27-19-7-8-32-15-28-21(23(32)10-19)4-5-24(35)22-14-34(31-30-22)13-20-12-33-11-18(16-1-2-16)9-17(26(33)29-20)3-6-25(36)37/h7-12,14-16H,1-6,13H2,(H2,28,37);7-12,14-16H,1-6,13H2,(H,36,37)
InChIKeyFOTSLVKCWGFISQ-UHFFFAOYSA-N
MW1034.97 g/mol
LogP7.37
Rot. Bonds20

About 3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanamide;3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoic acid

3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanamide;3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoic acid (PubChem CID 158096855) has the molecular formula C52H49Cl2N15O5 and a molecular weight of 1034.97 g/mol. Its IUPAC name is 3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanamide;3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanamide;3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoic acid
PubChem CID158096855
Molecular FormulaC52H49Cl2N15O5
Molecular Weight1034.97 g/mol
Exact Mass1033.34
IUPAC Name3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanamide;3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoic acid
SMILESNC(=O)CCc1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)cc45)nn3)nc12.O=C(O)CCc1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)cc45)nn3)nc12
InChIInChI=1S/C26H25ClN8O2.C26H24ClN7O3/c27-19-7-8-33-15-29-21(23(33)10-19)4-5-24(36)22-14-35(32-31-22)13-20-12-34-11-18(16-1-2-16)9-17(26(34)30-20)3-6-25(28)37;27-19-7-8-32-15-28-21(23(32)10-19)4-5-24(35)22-14-34(31-30-22)13-20-12-33-11-18(16-1-2-16)9-17(26(33)29-20)3-6-25(36)37/h7-12,14-16H,1-6,13H2,(H2,28,37);7-12,14-16H,1-6,13H2,(H,36,37)
InChIKeyFOTSLVKCWGFISQ-UHFFFAOYSA-N
XLogP7.37
TPSA245.15 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds20
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001034.97
LogP ≤ 57.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Analyze 3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanamide;3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoic acid with MolForge

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Related Compounds

Methyl 1-[[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl]cyclopentane-1-carboxylate
CID 139487653
3-[2-[[4-[(7-Chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2,2-dimethylpropanoic acid
CID 139487663
2-[2-[[4-[(7-Chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid
CID 139487706
3-[2-[[4-[(7-Chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoic acid
CID 139488026
3-[2-[[4-[(7-Chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-fluoropropanoic acid
CID 139488049
Ethyl 3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoate
CID 139488116
1-[[2-[[4-[(7-Chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl]cyclopentane-1-carboxylic acid
CID 139488243
3-[2-[[4-[(7-Chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoic acid
CID 139488269
Ethyl 3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoate
CID 139488291
Methyl 3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-fluoropropanoate
CID 139488293
3-[2-[[4-[(7-Chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoic acid
CID 139487286
2-[4-[(7-Chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]cyclopropane-1-carboxylic acid
CID 139487395

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanamide;3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoic acid?
The IUPAC name of 3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanamide;3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoic acid (CID 158096855) is 3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanamide;3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoic acid.
What is the SMILES notation for 3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanamide;3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoic acid?
The canonical SMILES for 3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanamide;3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoic acid is NC(=O)CCc1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)cc45)nn3)nc12.O=C(O)CCc1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)cc45)nn3)nc12.
What is the InChIKey of 3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanamide;3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoic acid?
The InChIKey is FOTSLVKCWGFISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN8O2.C26H24ClN7O3/c27-19-7-8-33-15-29-21(23(33)10-19)4-5-24(36)22-14-35(32-31-22)13-20-12-34-11-18(16-1-2-16)9-17(26(34)30-20)3-6-25(28)37;27-19-7-8-32-15-28-21(23(32)10-19)4-5-24(35)22-14-34(31-30-22)13-20-12-33-11-18(16-1-2-16)9-17(26(33)29-20)3-6-25(36)37/h7-12,14-16H,1-6,13H2,(H2,28,37);7-12,14-16H,1-6,13H2,(H,36,37).
What are the key properties of 3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanamide;3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoic acid?
3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanamide;3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoic acid has a molecular weight of 1034.97 g/mol, XLogP of 7.37, 20 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanamide;3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoic acid is sourced from PubChem (CID 158096855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).