8-ethyl-7-phenyl-1,4-di(piperidin-1-yl)pyrido[3,4-d]pyridazine

C25H31N5 — CID 21451309

IUPAC8-ethyl-7-phenyl-1,4-di(piperidin-1-yl)pyrido[3,4-d]pyridazine
SMILESCCc1c(-c2ccccc2)ncc2c(N3CCCCC3)nnc(N3CCCCC3)c12
InChIInChI=1S/C25H31N5/c1-2-20-22-21(18-26-23(20)19-12-6-3-7-13-19)24(29-14-8-4-9-15-29)27-28-25(22)30-16-10-5-11-17-30/h3,6-7,12-13,18H,2,4-5,8-11,14-17H2,1H3
InChIKeyQGDIJTVAHKUPJH-UHFFFAOYSA-N
MW401.56 g/mol
LogP5.23
Rot. Bonds4

About 8-ethyl-7-phenyl-1,4-di(piperidin-1-yl)pyrido[3,4-d]pyridazine

8-ethyl-7-phenyl-1,4-di(piperidin-1-yl)pyrido[3,4-d]pyridazine (PubChem CID 21451309) has the molecular formula C25H31N5 and a molecular weight of 401.56 g/mol. Its IUPAC name is 8-ethyl-7-phenyl-1,4-di(piperidin-1-yl)pyrido[3,4-d]pyridazine.

Molecular Properties

Compound Name8-ethyl-7-phenyl-1,4-di(piperidin-1-yl)pyrido[3,4-d]pyridazine
PubChem CID21451309
Molecular FormulaC25H31N5
Molecular Weight401.56 g/mol
Exact Mass401.26
IUPAC Name8-ethyl-7-phenyl-1,4-di(piperidin-1-yl)pyrido[3,4-d]pyridazine
SMILESCCc1c(-c2ccccc2)ncc2c(N3CCCCC3)nnc(N3CCCCC3)c12
InChIInChI=1S/C25H31N5/c1-2-20-22-21(18-26-23(20)19-12-6-3-7-13-19)24(29-14-8-4-9-15-29)27-28-25(22)30-16-10-5-11-17-30/h3,6-7,12-13,18H,2,4-5,8-11,14-17H2,1H3
InChIKeyQGDIJTVAHKUPJH-UHFFFAOYSA-N
XLogP5.23
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.56
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-ethyl-7-phenyl-1,4-di(piperidin-1-yl)pyrido[3,4-d]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-7-phenyl-1,4-di(piperidin-1-yl)pyrido[3,4-d]pyridazine?
The IUPAC name of 8-ethyl-7-phenyl-1,4-di(piperidin-1-yl)pyrido[3,4-d]pyridazine (CID 21451309) is 8-ethyl-7-phenyl-1,4-di(piperidin-1-yl)pyrido[3,4-d]pyridazine.
What is the SMILES notation for 8-ethyl-7-phenyl-1,4-di(piperidin-1-yl)pyrido[3,4-d]pyridazine?
The canonical SMILES for 8-ethyl-7-phenyl-1,4-di(piperidin-1-yl)pyrido[3,4-d]pyridazine is CCc1c(-c2ccccc2)ncc2c(N3CCCCC3)nnc(N3CCCCC3)c12.
What is the InChIKey of 8-ethyl-7-phenyl-1,4-di(piperidin-1-yl)pyrido[3,4-d]pyridazine?
The InChIKey is QGDIJTVAHKUPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5/c1-2-20-22-21(18-26-23(20)19-12-6-3-7-13-19)24(29-14-8-4-9-15-29)27-28-25(22)30-16-10-5-11-17-30/h3,6-7,12-13,18H,2,4-5,8-11,14-17H2,1H3.
What are the key properties of 8-ethyl-7-phenyl-1,4-di(piperidin-1-yl)pyrido[3,4-d]pyridazine?
8-ethyl-7-phenyl-1,4-di(piperidin-1-yl)pyrido[3,4-d]pyridazine has a molecular weight of 401.56 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-7-phenyl-1,4-di(piperidin-1-yl)pyrido[3,4-d]pyridazine is sourced from PubChem (CID 21451309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).