methyl 2-[[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,2,4-triazole-3-carboxylate

C18H13Cl2N5O2 — CID 67324457

IUPACmethyl 2-[[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,2,4-triazole-3-carboxylate
SMILESCOC(=O)c1ncnn1Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12
InChIInChI=1S/C18H13Cl2N5O2/c1-27-18(26)17-21-10-22-25(17)9-14-16(11-2-4-12(19)5-3-11)23-15-7-6-13(20)8-24(14)15/h2-8,10H,9H2,1H3
InChIKeyVAKPTSXOPPFJMP-UHFFFAOYSA-N
MW402.24 g/mol
LogP3.73
Rot. Bonds4

About methyl 2-[[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,2,4-triazole-3-carboxylate

methyl 2-[[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,2,4-triazole-3-carboxylate (PubChem CID 67324457) has the molecular formula C18H13Cl2N5O2 and a molecular weight of 402.24 g/mol. Its IUPAC name is methyl 2-[[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,2,4-triazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,2,4-triazole-3-carboxylate
PubChem CID67324457
Molecular FormulaC18H13Cl2N5O2
Molecular Weight402.24 g/mol
Exact Mass401.04
IUPAC Namemethyl 2-[[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,2,4-triazole-3-carboxylate
SMILESCOC(=O)c1ncnn1Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12
InChIInChI=1S/C18H13Cl2N5O2/c1-27-18(26)17-21-10-22-25(17)9-14-16(11-2-4-12(19)5-3-11)23-15-7-6-13(20)8-24(14)15/h2-8,10H,9H2,1H3
InChIKeyVAKPTSXOPPFJMP-UHFFFAOYSA-N
XLogP3.73
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.24
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,2,4-triazole-3-carboxylate?
The IUPAC name of methyl 2-[[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,2,4-triazole-3-carboxylate (CID 67324457) is methyl 2-[[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,2,4-triazole-3-carboxylate.
What is the SMILES notation for methyl 2-[[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,2,4-triazole-3-carboxylate?
The canonical SMILES for methyl 2-[[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,2,4-triazole-3-carboxylate is COC(=O)c1ncnn1Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12.
What is the InChIKey of methyl 2-[[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,2,4-triazole-3-carboxylate?
The InChIKey is VAKPTSXOPPFJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N5O2/c1-27-18(26)17-21-10-22-25(17)9-14-16(11-2-4-12(19)5-3-11)23-15-7-6-13(20)8-24(14)15/h2-8,10H,9H2,1H3.
What are the key properties of methyl 2-[[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,2,4-triazole-3-carboxylate?
methyl 2-[[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,2,4-triazole-3-carboxylate has a molecular weight of 402.24 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,2,4-triazole-3-carboxylate is sourced from PubChem (CID 67324457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).