[(3R)-4-[1-(4-fluorophenyl)pyrido[3,4-d]pyridazin-4-yl]-3-methylpiperazin-1-yl]-phenylmethanone

C25H22FN5O — CID 25224528

IUPAC[(3R)-4-[1-(4-fluorophenyl)pyrido[3,4-d]pyridazin-4-yl]-3-methylpiperazin-1-yl]-phenylmethanone
SMILESC[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(F)cc2)c2ccncc12
InChIInChI=1S/C25H22FN5O/c1-17-16-30(25(32)19-5-3-2-4-6-19)13-14-31(17)24-22-15-27-12-11-21(22)23(28-29-24)18-7-9-20(26)10-8-18/h2-12,15,17H,13-14,16H2,1H3/t17-/m1/s1
InChIKeyRANWAXNOQHQVJW-QGZVFWFLSA-N
MW427.48 g/mol
LogP4.18
Rot. Bonds3

About [(3R)-4-[1-(4-fluorophenyl)pyrido[3,4-d]pyridazin-4-yl]-3-methylpiperazin-1-yl]-phenylmethanone

[(3R)-4-[1-(4-fluorophenyl)pyrido[3,4-d]pyridazin-4-yl]-3-methylpiperazin-1-yl]-phenylmethanone (PubChem CID 25224528) has the molecular formula C25H22FN5O and a molecular weight of 427.48 g/mol. Its IUPAC name is [(3R)-4-[1-(4-fluorophenyl)pyrido[3,4-d]pyridazin-4-yl]-3-methylpiperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(3R)-4-[1-(4-fluorophenyl)pyrido[3,4-d]pyridazin-4-yl]-3-methylpiperazin-1-yl]-phenylmethanone
PubChem CID25224528
Molecular FormulaC25H22FN5O
Molecular Weight427.48 g/mol
Exact Mass427.18
IUPAC Name[(3R)-4-[1-(4-fluorophenyl)pyrido[3,4-d]pyridazin-4-yl]-3-methylpiperazin-1-yl]-phenylmethanone
SMILESC[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(F)cc2)c2ccncc12
InChIInChI=1S/C25H22FN5O/c1-17-16-30(25(32)19-5-3-2-4-6-19)13-14-31(17)24-22-15-27-12-11-21(22)23(28-29-24)18-7-9-20(26)10-8-18/h2-12,15,17H,13-14,16H2,1H3/t17-/m1/s1
InChIKeyRANWAXNOQHQVJW-QGZVFWFLSA-N
XLogP4.18
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R)-4-[1-(4-fluorophenyl)pyrido[3,4-d]pyridazin-4-yl]-3-methylpiperazin-1-yl]-phenylmethanone 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 [(3R)-4-[1-(4-fluorophenyl)pyrido[3,4-d]pyridazin-4-yl]-3-methylpiperazin-1-yl]-phenylmethanone?
The IUPAC name of [(3R)-4-[1-(4-fluorophenyl)pyrido[3,4-d]pyridazin-4-yl]-3-methylpiperazin-1-yl]-phenylmethanone (CID 25224528) is [(3R)-4-[1-(4-fluorophenyl)pyrido[3,4-d]pyridazin-4-yl]-3-methylpiperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [(3R)-4-[1-(4-fluorophenyl)pyrido[3,4-d]pyridazin-4-yl]-3-methylpiperazin-1-yl]-phenylmethanone?
The canonical SMILES for [(3R)-4-[1-(4-fluorophenyl)pyrido[3,4-d]pyridazin-4-yl]-3-methylpiperazin-1-yl]-phenylmethanone is C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(F)cc2)c2ccncc12.
What is the InChIKey of [(3R)-4-[1-(4-fluorophenyl)pyrido[3,4-d]pyridazin-4-yl]-3-methylpiperazin-1-yl]-phenylmethanone?
The InChIKey is RANWAXNOQHQVJW-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H22FN5O/c1-17-16-30(25(32)19-5-3-2-4-6-19)13-14-31(17)24-22-15-27-12-11-21(22)23(28-29-24)18-7-9-20(26)10-8-18/h2-12,15,17H,13-14,16H2,1H3/t17-/m1/s1.
What are the key properties of [(3R)-4-[1-(4-fluorophenyl)pyrido[3,4-d]pyridazin-4-yl]-3-methylpiperazin-1-yl]-phenylmethanone?
[(3R)-4-[1-(4-fluorophenyl)pyrido[3,4-d]pyridazin-4-yl]-3-methylpiperazin-1-yl]-phenylmethanone has a molecular weight of 427.48 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4-[1-(4-fluorophenyl)pyrido[3,4-d]pyridazin-4-yl]-3-methylpiperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 25224528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).