6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[2,1-f][1,2,4]triazin-4-one

C24H24ClN5O3 — CID 45279493

IUPAC6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[2,1-f][1,2,4]triazin-4-one
SMILESCOc1cc(-n2cnn3cc(-c4ccc(Cl)cc4)nc3c2=O)ccc1OCCN1CCCC1
InChIInChI=1S/C24H24ClN5O3/c1-32-22-14-19(8-9-21(22)33-13-12-28-10-2-3-11-28)29-16-26-30-15-20(27-23(30)24(29)31)17-4-6-18(25)7-5-17/h4-9,14-16H,2-3,10-13H2,1H3
InChIKeyZOKRNWQUAKWYOX-UHFFFAOYSA-N
MW465.94 g/mol
LogP3.68
Rot. Bonds7

About 6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[2,1-f][1,2,4]triazin-4-one

6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[2,1-f][1,2,4]triazin-4-one (PubChem CID 45279493) has the molecular formula C24H24ClN5O3 and a molecular weight of 465.94 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[2,1-f][1,2,4]triazin-4-one
PubChem CID45279493
Molecular FormulaC24H24ClN5O3
Molecular Weight465.94 g/mol
Exact Mass465.16
IUPAC Name6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[2,1-f][1,2,4]triazin-4-one
SMILESCOc1cc(-n2cnn3cc(-c4ccc(Cl)cc4)nc3c2=O)ccc1OCCN1CCCC1
InChIInChI=1S/C24H24ClN5O3/c1-32-22-14-19(8-9-21(22)33-13-12-28-10-2-3-11-28)29-16-26-30-15-20(27-23(30)24(29)31)17-4-6-18(25)7-5-17/h4-9,14-16H,2-3,10-13H2,1H3
InChIKeyZOKRNWQUAKWYOX-UHFFFAOYSA-N
XLogP3.68
TPSA73.89 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.94
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[2,1-f][1,2,4]triazin-4-one (CID 45279493) is 6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[2,1-f][1,2,4]triazin-4-one is COc1cc(-n2cnn3cc(-c4ccc(Cl)cc4)nc3c2=O)ccc1OCCN1CCCC1.
What is the InChIKey of 6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is ZOKRNWQUAKWYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O3/c1-32-22-14-19(8-9-21(22)33-13-12-28-10-2-3-11-28)29-16-26-30-15-20(27-23(30)24(29)31)17-4-6-18(25)7-5-17/h4-9,14-16H,2-3,10-13H2,1H3.
What are the key properties of 6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[2,1-f][1,2,4]triazin-4-one?
6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 465.94 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 45279493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).