6,8-dichloro-2-[2-[1-[(4-methoxyphenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine

C23H25Cl2N7O — CID 72705474

IUPAC6,8-dichloro-2-[2-[1-[(4-methoxyphenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1ccc(Cn2nc(CCc3nc4c(Cl)cc(Cl)c(C)n4n3)nc2N2CCCC2)cc1
InChIInChI=1S/C23H25Cl2N7O/c1-15-18(24)13-19(25)22-26-20(29-32(15)22)9-10-21-27-23(30-11-3-4-12-30)31(28-21)14-16-5-7-17(33-2)8-6-16/h5-8,13H,3-4,9-12,14H2,1-2H3
InChIKeyDNUHILRBYPPOLI-UHFFFAOYSA-N
MW486.41 g/mol
LogP4.38
Rot. Bonds7

About 6,8-dichloro-2-[2-[1-[(4-methoxyphenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine

6,8-dichloro-2-[2-[1-[(4-methoxyphenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 72705474) has the molecular formula C23H25Cl2N7O and a molecular weight of 486.41 g/mol. Its IUPAC name is 6,8-dichloro-2-[2-[1-[(4-methoxyphenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6,8-dichloro-2-[2-[1-[(4-methoxyphenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID72705474
Molecular FormulaC23H25Cl2N7O
Molecular Weight486.41 g/mol
Exact Mass485.15
IUPAC Name6,8-dichloro-2-[2-[1-[(4-methoxyphenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1ccc(Cn2nc(CCc3nc4c(Cl)cc(Cl)c(C)n4n3)nc2N2CCCC2)cc1
InChIInChI=1S/C23H25Cl2N7O/c1-15-18(24)13-19(25)22-26-20(29-32(15)22)9-10-21-27-23(30-11-3-4-12-30)31(28-21)14-16-5-7-17(33-2)8-6-16/h5-8,13H,3-4,9-12,14H2,1-2H3
InChIKeyDNUHILRBYPPOLI-UHFFFAOYSA-N
XLogP4.38
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.41
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6,8-dichloro-2-[2-[1-[(4-methoxyphenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-2-[2-[1-[(4-methoxyphenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6,8-dichloro-2-[2-[1-[(4-methoxyphenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine (CID 72705474) is 6,8-dichloro-2-[2-[1-[(4-methoxyphenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6,8-dichloro-2-[2-[1-[(4-methoxyphenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6,8-dichloro-2-[2-[1-[(4-methoxyphenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine is COc1ccc(Cn2nc(CCc3nc4c(Cl)cc(Cl)c(C)n4n3)nc2N2CCCC2)cc1.
What is the InChIKey of 6,8-dichloro-2-[2-[1-[(4-methoxyphenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is DNUHILRBYPPOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N7O/c1-15-18(24)13-19(25)22-26-20(29-32(15)22)9-10-21-27-23(30-11-3-4-12-30)31(28-21)14-16-5-7-17(33-2)8-6-16/h5-8,13H,3-4,9-12,14H2,1-2H3.
What are the key properties of 6,8-dichloro-2-[2-[1-[(4-methoxyphenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine?
6,8-dichloro-2-[2-[1-[(4-methoxyphenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 486.41 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-2-[2-[1-[(4-methoxyphenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 72705474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).