5-ethyl-2-methyl-3-(4-phenylpiperazine-1-carbonyl)furo[3,2-c]pyridin-4-one

C21H23N3O3 — CID 53167342

IUPAC5-ethyl-2-methyl-3-(4-phenylpiperazine-1-carbonyl)furo[3,2-c]pyridin-4-one
SMILESCCn1ccc2oc(C)c(C(=O)N3CCN(c4ccccc4)CC3)c2c1=O
InChIInChI=1S/C21H23N3O3/c1-3-22-10-9-17-19(21(22)26)18(15(2)27-17)20(25)24-13-11-23(12-14-24)16-7-5-4-6-8-16/h4-10H,3,11-14H2,1-2H3
InChIKeyGKTIAORLFBAPCA-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.89
Rot. Bonds3

About 5-ethyl-2-methyl-3-(4-phenylpiperazine-1-carbonyl)furo[3,2-c]pyridin-4-one

5-ethyl-2-methyl-3-(4-phenylpiperazine-1-carbonyl)furo[3,2-c]pyridin-4-one (PubChem CID 53167342) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 5-ethyl-2-methyl-3-(4-phenylpiperazine-1-carbonyl)furo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-ethyl-2-methyl-3-(4-phenylpiperazine-1-carbonyl)furo[3,2-c]pyridin-4-one
PubChem CID53167342
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name5-ethyl-2-methyl-3-(4-phenylpiperazine-1-carbonyl)furo[3,2-c]pyridin-4-one
SMILESCCn1ccc2oc(C)c(C(=O)N3CCN(c4ccccc4)CC3)c2c1=O
InChIInChI=1S/C21H23N3O3/c1-3-22-10-9-17-19(21(22)26)18(15(2)27-17)20(25)24-13-11-23(12-14-24)16-7-5-4-6-8-16/h4-10H,3,11-14H2,1-2H3
InChIKeyGKTIAORLFBAPCA-UHFFFAOYSA-N
XLogP2.89
TPSA58.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-3-(4-phenylpiperazine-1-carbonyl)furo[3,2-c]pyridin-4-one?
The IUPAC name of 5-ethyl-2-methyl-3-(4-phenylpiperazine-1-carbonyl)furo[3,2-c]pyridin-4-one (CID 53167342) is 5-ethyl-2-methyl-3-(4-phenylpiperazine-1-carbonyl)furo[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-ethyl-2-methyl-3-(4-phenylpiperazine-1-carbonyl)furo[3,2-c]pyridin-4-one?
The canonical SMILES for 5-ethyl-2-methyl-3-(4-phenylpiperazine-1-carbonyl)furo[3,2-c]pyridin-4-one is CCn1ccc2oc(C)c(C(=O)N3CCN(c4ccccc4)CC3)c2c1=O.
What is the InChIKey of 5-ethyl-2-methyl-3-(4-phenylpiperazine-1-carbonyl)furo[3,2-c]pyridin-4-one?
The InChIKey is GKTIAORLFBAPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-3-22-10-9-17-19(21(22)26)18(15(2)27-17)20(25)24-13-11-23(12-14-24)16-7-5-4-6-8-16/h4-10H,3,11-14H2,1-2H3.
What are the key properties of 5-ethyl-2-methyl-3-(4-phenylpiperazine-1-carbonyl)furo[3,2-c]pyridin-4-one?
5-ethyl-2-methyl-3-(4-phenylpiperazine-1-carbonyl)furo[3,2-c]pyridin-4-one has a molecular weight of 365.43 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-3-(4-phenylpiperazine-1-carbonyl)furo[3,2-c]pyridin-4-one is sourced from PubChem (CID 53167342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).