(4R)-3-[4-[[2-[(2-methoxyphenyl)methyl]-3-oxocyclohexen-1-yl]amino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one

C25H27N3O3 — CID 23647033

IUPAC(4R)-3-[4-[[2-[(2-methoxyphenyl)methyl]-3-oxocyclohexen-1-yl]amino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1ccccc1CC1=C(Nc2ccc(C3=NNC(=O)C[C@H]3C)cc2)CCCC1=O
InChIInChI=1S/C25H27N3O3/c1-16-14-24(30)27-28-25(16)17-10-12-19(13-11-17)26-21-7-5-8-22(29)20(21)15-18-6-3-4-9-23(18)31-2/h3-4,6,9-13,16,26H,5,7-8,14-15H2,1-2H3,(H,27,30)/t16-/m1/s1
InChIKeyCOEVDPWUZRPZIC-MRXNPFEDSA-N
MW417.51 g/mol
LogP4.22
Rot. Bonds6

About (4R)-3-[4-[[2-[(2-methoxyphenyl)methyl]-3-oxocyclohexen-1-yl]amino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one

(4R)-3-[4-[[2-[(2-methoxyphenyl)methyl]-3-oxocyclohexen-1-yl]amino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 23647033) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is (4R)-3-[4-[[2-[(2-methoxyphenyl)methyl]-3-oxocyclohexen-1-yl]amino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name(4R)-3-[4-[[2-[(2-methoxyphenyl)methyl]-3-oxocyclohexen-1-yl]amino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID23647033
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name(4R)-3-[4-[[2-[(2-methoxyphenyl)methyl]-3-oxocyclohexen-1-yl]amino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1ccccc1CC1=C(Nc2ccc(C3=NNC(=O)C[C@H]3C)cc2)CCCC1=O
InChIInChI=1S/C25H27N3O3/c1-16-14-24(30)27-28-25(16)17-10-12-19(13-11-17)26-21-7-5-8-22(29)20(21)15-18-6-3-4-9-23(18)31-2/h3-4,6,9-13,16,26H,5,7-8,14-15H2,1-2H3,(H,27,30)/t16-/m1/s1
InChIKeyCOEVDPWUZRPZIC-MRXNPFEDSA-N
XLogP4.22
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4R)-3-[4-[[2-[(2-methoxyphenyl)methyl]-3-oxocyclohexen-1-yl]amino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one with MolForge

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Launch Full Analysis

Related Compounds

(5R)-6-[4-({2-[(4-methoxyphenyl)methyl]-3-oxocyclohex-1-en-1-yl}amino)phenyl]-5-methyl-2,3,4,5-tetrahydropyridazin-3-one
CID 23647040
3-[4-[[2-[(4-methoxyphenyl)methyl]-3-oxocyclohexen-1-yl]amino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 44352035
3-[4-[[2-[(2-methoxyphenyl)methyl]-3-oxocyclohexen-1-yl]amino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 44352133
4-methoxy-N-[2-[(4-methoxybenzoyl)amino]-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide
CID 3377434
4-(dimethylamino)-N'-[1-(3-methoxyphenyl)ethylidene]benzohydrazide
CID 5336356
4-(dimethylamino)-N'-[1-(4-methoxyphenyl)ethylidene]benzohydrazide
CID 5336362
N-{4-[N-(2-methoxybenzoyl)ethanehydrazonoyl]phenyl}cyclopropanecarboxamide
CID 6959472
N-[4-({2-[2-(benzyloxy)benzylidene]hydrazino}carbonyl)phenyl]acetamide
CID 9675037
6-(4-{4-[(4-methoxyphenyl)acetyl]-1-piperazinyl}phenyl)-5-methyl-4,5-dihydro-3(2H)-pyridazinone
CID 11958374
2-methoxy-N-[4-(4-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridazinyl)phenyl]benzamide
CID 15945716
6-[(E)-2-(2-methoxyphenyl)ethenyl]-2-phenyl-4,5-dihydropyridazin-3-one
CID 155559976
N-{4-[N-(4-methoxybenzoyl)ethanehydrazonoyl]phenyl}propanamide
CID 6340227

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[4-[[2-[(2-methoxyphenyl)methyl]-3-oxocyclohexen-1-yl]amino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of (4R)-3-[4-[[2-[(2-methoxyphenyl)methyl]-3-oxocyclohexen-1-yl]amino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one (CID 23647033) is (4R)-3-[4-[[2-[(2-methoxyphenyl)methyl]-3-oxocyclohexen-1-yl]amino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for (4R)-3-[4-[[2-[(2-methoxyphenyl)methyl]-3-oxocyclohexen-1-yl]amino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for (4R)-3-[4-[[2-[(2-methoxyphenyl)methyl]-3-oxocyclohexen-1-yl]amino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one is COc1ccccc1CC1=C(Nc2ccc(C3=NNC(=O)C[C@H]3C)cc2)CCCC1=O.
What is the InChIKey of (4R)-3-[4-[[2-[(2-methoxyphenyl)methyl]-3-oxocyclohexen-1-yl]amino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is COEVDPWUZRPZIC-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-16-14-24(30)27-28-25(16)17-10-12-19(13-11-17)26-21-7-5-8-22(29)20(21)15-18-6-3-4-9-23(18)31-2/h3-4,6,9-13,16,26H,5,7-8,14-15H2,1-2H3,(H,27,30)/t16-/m1/s1.
What are the key properties of (4R)-3-[4-[[2-[(2-methoxyphenyl)methyl]-3-oxocyclohexen-1-yl]amino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
(4R)-3-[4-[[2-[(2-methoxyphenyl)methyl]-3-oxocyclohexen-1-yl]amino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 417.51 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[4-[[2-[(2-methoxyphenyl)methyl]-3-oxocyclohexen-1-yl]amino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 23647033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).