[(3R)-3-methyl-4-(8-phenylpyrido[2,3-d]pyridazin-5-yl)piperazin-1-yl]-phenylmethanone

C25H23N5O — CID 25224707

IUPAC[(3R)-3-methyl-4-(8-phenylpyrido[2,3-d]pyridazin-5-yl)piperazin-1-yl]-phenylmethanone
SMILESC[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2ncccc12
InChIInChI=1S/C25H23N5O/c1-18-17-29(25(31)20-11-6-3-7-12-20)15-16-30(18)24-21-13-8-14-26-23(21)22(27-28-24)19-9-4-2-5-10-19/h2-14,18H,15-17H2,1H3/t18-/m1/s1
InChIKeyOXMUCRYLSXXWCZ-GOSISDBHSA-N
MW409.49 g/mol
LogP4.04
Rot. Bonds3

About [(3R)-3-methyl-4-(8-phenylpyrido[2,3-d]pyridazin-5-yl)piperazin-1-yl]-phenylmethanone

[(3R)-3-methyl-4-(8-phenylpyrido[2,3-d]pyridazin-5-yl)piperazin-1-yl]-phenylmethanone (PubChem CID 25224707) has the molecular formula C25H23N5O and a molecular weight of 409.49 g/mol. Its IUPAC name is [(3R)-3-methyl-4-(8-phenylpyrido[2,3-d]pyridazin-5-yl)piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(3R)-3-methyl-4-(8-phenylpyrido[2,3-d]pyridazin-5-yl)piperazin-1-yl]-phenylmethanone
PubChem CID25224707
Molecular FormulaC25H23N5O
Molecular Weight409.49 g/mol
Exact Mass409.19
IUPAC Name[(3R)-3-methyl-4-(8-phenylpyrido[2,3-d]pyridazin-5-yl)piperazin-1-yl]-phenylmethanone
SMILESC[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2ncccc12
InChIInChI=1S/C25H23N5O/c1-18-17-29(25(31)20-11-6-3-7-12-20)15-16-30(18)24-21-13-8-14-26-23(21)22(27-28-24)19-9-4-2-5-10-19/h2-14,18H,15-17H2,1H3/t18-/m1/s1
InChIKeyOXMUCRYLSXXWCZ-GOSISDBHSA-N
XLogP4.04
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-methyl-4-(8-phenylpyrido[2,3-d]pyridazin-5-yl)piperazin-1-yl]-phenylmethanone?
The IUPAC name of [(3R)-3-methyl-4-(8-phenylpyrido[2,3-d]pyridazin-5-yl)piperazin-1-yl]-phenylmethanone (CID 25224707) is [(3R)-3-methyl-4-(8-phenylpyrido[2,3-d]pyridazin-5-yl)piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [(3R)-3-methyl-4-(8-phenylpyrido[2,3-d]pyridazin-5-yl)piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [(3R)-3-methyl-4-(8-phenylpyrido[2,3-d]pyridazin-5-yl)piperazin-1-yl]-phenylmethanone is C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2ncccc12.
What is the InChIKey of [(3R)-3-methyl-4-(8-phenylpyrido[2,3-d]pyridazin-5-yl)piperazin-1-yl]-phenylmethanone?
The InChIKey is OXMUCRYLSXXWCZ-GOSISDBHSA-N. The full InChI is InChI=1S/C25H23N5O/c1-18-17-29(25(31)20-11-6-3-7-12-20)15-16-30(18)24-21-13-8-14-26-23(21)22(27-28-24)19-9-4-2-5-10-19/h2-14,18H,15-17H2,1H3/t18-/m1/s1.
What are the key properties of [(3R)-3-methyl-4-(8-phenylpyrido[2,3-d]pyridazin-5-yl)piperazin-1-yl]-phenylmethanone?
[(3R)-3-methyl-4-(8-phenylpyrido[2,3-d]pyridazin-5-yl)piperazin-1-yl]-phenylmethanone has a molecular weight of 409.49 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-methyl-4-(8-phenylpyrido[2,3-d]pyridazin-5-yl)piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 25224707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).