7-ethyl-3-methyl-2-(2-pyrido[3,2-d]pyrimidin-2-ylethyl)imidazo[2,1-a]isoquinoline

C23H21N5 — CID 123820555

IUPAC7-ethyl-3-methyl-2-(2-pyrido[3,2-d]pyrimidin-2-ylethyl)imidazo[2,1-a]isoquinoline
SMILESCCc1cccc2c1ccn1c(C)c(CCc3ncc4ncccc4n3)nc21
InChIInChI=1S/C23H21N5/c1-3-16-6-4-7-18-17(16)11-13-28-15(2)19(27-23(18)28)9-10-22-25-14-21-20(26-22)8-5-12-24-21/h4-8,11-14H,3,9-10H2,1-2H3
InChIKeyODVHHIFFZJYUNW-UHFFFAOYSA-N
MW367.46 g/mol
LogP4.48
Rot. Bonds4

About 7-ethyl-3-methyl-2-(2-pyrido[3,2-d]pyrimidin-2-ylethyl)imidazo[2,1-a]isoquinoline

7-ethyl-3-methyl-2-(2-pyrido[3,2-d]pyrimidin-2-ylethyl)imidazo[2,1-a]isoquinoline (PubChem CID 123820555) has the molecular formula C23H21N5 and a molecular weight of 367.46 g/mol. Its IUPAC name is 7-ethyl-3-methyl-2-(2-pyrido[3,2-d]pyrimidin-2-ylethyl)imidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name7-ethyl-3-methyl-2-(2-pyrido[3,2-d]pyrimidin-2-ylethyl)imidazo[2,1-a]isoquinoline
PubChem CID123820555
Molecular FormulaC23H21N5
Molecular Weight367.46 g/mol
Exact Mass367.18
IUPAC Name7-ethyl-3-methyl-2-(2-pyrido[3,2-d]pyrimidin-2-ylethyl)imidazo[2,1-a]isoquinoline
SMILESCCc1cccc2c1ccn1c(C)c(CCc3ncc4ncccc4n3)nc21
InChIInChI=1S/C23H21N5/c1-3-16-6-4-7-18-17(16)11-13-28-15(2)19(27-23(18)28)9-10-22-25-14-21-20(26-22)8-5-12-24-21/h4-8,11-14H,3,9-10H2,1-2H3
InChIKeyODVHHIFFZJYUNW-UHFFFAOYSA-N
XLogP4.48
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-methyl-2-(2-pyrido[3,2-d]pyrimidin-2-ylethyl)imidazo[2,1-a]isoquinoline?
The IUPAC name of 7-ethyl-3-methyl-2-(2-pyrido[3,2-d]pyrimidin-2-ylethyl)imidazo[2,1-a]isoquinoline (CID 123820555) is 7-ethyl-3-methyl-2-(2-pyrido[3,2-d]pyrimidin-2-ylethyl)imidazo[2,1-a]isoquinoline.
What is the SMILES notation for 7-ethyl-3-methyl-2-(2-pyrido[3,2-d]pyrimidin-2-ylethyl)imidazo[2,1-a]isoquinoline?
The canonical SMILES for 7-ethyl-3-methyl-2-(2-pyrido[3,2-d]pyrimidin-2-ylethyl)imidazo[2,1-a]isoquinoline is CCc1cccc2c1ccn1c(C)c(CCc3ncc4ncccc4n3)nc21.
What is the InChIKey of 7-ethyl-3-methyl-2-(2-pyrido[3,2-d]pyrimidin-2-ylethyl)imidazo[2,1-a]isoquinoline?
The InChIKey is ODVHHIFFZJYUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5/c1-3-16-6-4-7-18-17(16)11-13-28-15(2)19(27-23(18)28)9-10-22-25-14-21-20(26-22)8-5-12-24-21/h4-8,11-14H,3,9-10H2,1-2H3.
What are the key properties of 7-ethyl-3-methyl-2-(2-pyrido[3,2-d]pyrimidin-2-ylethyl)imidazo[2,1-a]isoquinoline?
7-ethyl-3-methyl-2-(2-pyrido[3,2-d]pyrimidin-2-ylethyl)imidazo[2,1-a]isoquinoline has a molecular weight of 367.46 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-methyl-2-(2-pyrido[3,2-d]pyrimidin-2-ylethyl)imidazo[2,1-a]isoquinoline is sourced from PubChem (CID 123820555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).