[(2R)-oxolan-2-yl]methyl 2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxylate

C23H22N2O4 — CID 42352991

IUPAC[(2R)-oxolan-2-yl]methyl 2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxylate
SMILESCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)OC[C@H]2CCCO2)c1=O
InChIInChI=1S/C23H22N2O4/c1-25-22(26)20(23(27)29-15-18-13-8-14-28-18)19(16-9-4-2-5-10-16)21(24-25)17-11-6-3-7-12-17/h2-7,9-12,18H,8,13-15H2,1H3/t18-/m1/s1
InChIKeyRASWRXDKNFDGSW-GOSISDBHSA-N
MW390.44 g/mol
LogP3.45
Rot. Bonds5

About [(2R)-oxolan-2-yl]methyl 2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxylate

[(2R)-oxolan-2-yl]methyl 2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxylate (PubChem CID 42352991) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is [(2R)-oxolan-2-yl]methyl 2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxylate.

Molecular Properties

Compound Name[(2R)-oxolan-2-yl]methyl 2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxylate
PubChem CID42352991
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name[(2R)-oxolan-2-yl]methyl 2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxylate
SMILESCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)OC[C@H]2CCCO2)c1=O
InChIInChI=1S/C23H22N2O4/c1-25-22(26)20(23(27)29-15-18-13-8-14-28-18)19(16-9-4-2-5-10-16)21(24-25)17-11-6-3-7-12-17/h2-7,9-12,18H,8,13-15H2,1H3/t18-/m1/s1
InChIKeyRASWRXDKNFDGSW-GOSISDBHSA-N
XLogP3.45
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R)-oxolan-2-yl]methyl 2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxylate with MolForge

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Related Compounds

dimethyl-[3-(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)oxypropyl]azanium
CID 4583627
N-cyclododecyl-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790626
bis(oxolan-2-ylmethyl) butanedioate;oxolan-2-ylmethyl benzoate
CID 67831288
1-(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)-2-(oxolan-2-ylmethoxy)ethanone
CID 154566913
[4-(oxolan-2-ylmethoxycarbonyl)phenyl] 4-phenylbenzoate
CID 17201510
oxolan-2-ylmethyl 4-amino-1-methylpyrazole-3-carboxylate
CID 65355547
oxan-2-ylmethyl 3-phenylbenzoate
CID 23625075
N-[[5-(2-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93136423
N-[(1-methyl-5-phenoxy-3-phenylpyrazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 93136118
2-methyl-N-[(1-methyl-5-phenoxy-3-phenylpyrazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 51069293
2-O-(oxolan-2-ylmethyl) 1-O-propyl benzene-1,2-dicarboxylate
CID 6421085
oxolan-2-ylmethyl pyridine-4-carboxylate
CID 533036

Frequently Asked Questions

What is the IUPAC name of [(2R)-oxolan-2-yl]methyl 2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxylate?
The IUPAC name of [(2R)-oxolan-2-yl]methyl 2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxylate (CID 42352991) is [(2R)-oxolan-2-yl]methyl 2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxylate.
What is the SMILES notation for [(2R)-oxolan-2-yl]methyl 2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxylate?
The canonical SMILES for [(2R)-oxolan-2-yl]methyl 2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxylate is Cn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)OC[C@H]2CCCO2)c1=O.
What is the InChIKey of [(2R)-oxolan-2-yl]methyl 2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxylate?
The InChIKey is RASWRXDKNFDGSW-GOSISDBHSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-25-22(26)20(23(27)29-15-18-13-8-14-28-18)19(16-9-4-2-5-10-16)21(24-25)17-11-6-3-7-12-17/h2-7,9-12,18H,8,13-15H2,1H3/t18-/m1/s1.
What are the key properties of [(2R)-oxolan-2-yl]methyl 2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxylate?
[(2R)-oxolan-2-yl]methyl 2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxylate has a molecular weight of 390.44 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-oxolan-2-yl]methyl 2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxylate is sourced from PubChem (CID 42352991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).