2,4-dimethyl-6-[6-(oxan-4-yl)-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]pyridazin-3-one

C25H27N5O2 — CID 90647162

IUPAC2,4-dimethyl-6-[6-(oxan-4-yl)-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]pyridazin-3-one
SMILESCc1cc(-c2nc3cnc(C4CCOCC4)cc3n2[C@@H](C)c2ccccc2)nn(C)c1=O
InChIInChI=1S/C25H27N5O2/c1-16-13-21(28-29(3)25(16)31)24-27-22-15-26-20(19-9-11-32-12-10-19)14-23(22)30(24)17(2)18-7-5-4-6-8-18/h4-8,13-15,17,19H,9-12H2,1-3H3/t17-/m0/s1
InChIKeyQNFGQQDKBYVNAS-KRWDZBQOSA-N
MW429.52 g/mol
LogP4.00
Rot. Bonds4

About 2,4-dimethyl-6-[6-(oxan-4-yl)-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]pyridazin-3-one

2,4-dimethyl-6-[6-(oxan-4-yl)-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]pyridazin-3-one (PubChem CID 90647162) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 2,4-dimethyl-6-[6-(oxan-4-yl)-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]pyridazin-3-one.

Molecular Properties

Compound Name2,4-dimethyl-6-[6-(oxan-4-yl)-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]pyridazin-3-one
PubChem CID90647162
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name2,4-dimethyl-6-[6-(oxan-4-yl)-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]pyridazin-3-one
SMILESCc1cc(-c2nc3cnc(C4CCOCC4)cc3n2[C@@H](C)c2ccccc2)nn(C)c1=O
InChIInChI=1S/C25H27N5O2/c1-16-13-21(28-29(3)25(16)31)24-27-22-15-26-20(19-9-11-32-12-10-19)14-23(22)30(24)17(2)18-7-5-4-6-8-18/h4-8,13-15,17,19H,9-12H2,1-3H3/t17-/m0/s1
InChIKeyQNFGQQDKBYVNAS-KRWDZBQOSA-N
XLogP4.00
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2,4-dimethyl-6-[6-(oxan-4-yl)-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]pyridazin-3-one with MolForge

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Related Compounds

1-[4-[3-[4-Amino-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]piperazin-1-yl]ethanone
CID 132209868
UR-12670
CID 9867789
(E)-3-(4-aminophenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 10478979
2-(Benzhydrylamino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone
CID 10503870
1-[4-[(2-Methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one
CID 10523594
(E)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylpent-2-en-1-one
CID 10620326
(1-Phenylcyclopropyl)methyl 4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxylate
CID 10692610
N-benzhydryl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide
CID 10694369
N-[(1S)-2-ethoxy-1-phenylethyl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide
CID 10717081
1-[4-[(2-Methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 10761157
3-Methyl-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one
CID 10810441
1-[4-(2-Methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 10812266

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[6-(oxan-4-yl)-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]pyridazin-3-one?
The IUPAC name of 2,4-dimethyl-6-[6-(oxan-4-yl)-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]pyridazin-3-one (CID 90647162) is 2,4-dimethyl-6-[6-(oxan-4-yl)-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]pyridazin-3-one.
What is the SMILES notation for 2,4-dimethyl-6-[6-(oxan-4-yl)-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]pyridazin-3-one?
The canonical SMILES for 2,4-dimethyl-6-[6-(oxan-4-yl)-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]pyridazin-3-one is Cc1cc(-c2nc3cnc(C4CCOCC4)cc3n2[C@@H](C)c2ccccc2)nn(C)c1=O.
What is the InChIKey of 2,4-dimethyl-6-[6-(oxan-4-yl)-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]pyridazin-3-one?
The InChIKey is QNFGQQDKBYVNAS-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-16-13-21(28-29(3)25(16)31)24-27-22-15-26-20(19-9-11-32-12-10-19)14-23(22)30(24)17(2)18-7-5-4-6-8-18/h4-8,13-15,17,19H,9-12H2,1-3H3/t17-/m0/s1.
What are the key properties of 2,4-dimethyl-6-[6-(oxan-4-yl)-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]pyridazin-3-one?
2,4-dimethyl-6-[6-(oxan-4-yl)-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]pyridazin-3-one has a molecular weight of 429.52 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[6-(oxan-4-yl)-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]pyridazin-3-one is sourced from PubChem (CID 90647162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).