5-methyl-4-[4-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one

C19H24N4O2 — CID 157069642

IUPAC5-methyl-4-[4-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one
SMILESCc1c(N2Cc3cccc(N(C)C[C@H]4CCCO4)c3C2)cn[nH]c1=O
InChIInChI=1S/C19H24N4O2/c1-13-18(9-20-21-19(13)24)23-10-14-5-3-7-17(16(14)12-23)22(2)11-15-6-4-8-25-15/h3,5,7,9,15H,4,6,8,10-12H2,1-2H3,(H,21,24)/t15-/m1/s1
InChIKeyACGVDXHSPODOJE-OAHLLOKOSA-N
MW340.43 g/mol
LogP2.21
Rot. Bonds4

About 5-methyl-4-[4-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one

5-methyl-4-[4-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one (PubChem CID 157069642) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 5-methyl-4-[4-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-methyl-4-[4-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one
PubChem CID157069642
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name5-methyl-4-[4-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one
SMILESCc1c(N2Cc3cccc(N(C)C[C@H]4CCCO4)c3C2)cn[nH]c1=O
InChIInChI=1S/C19H24N4O2/c1-13-18(9-20-21-19(13)24)23-10-14-5-3-7-17(16(14)12-23)22(2)11-15-6-4-8-25-15/h3,5,7,9,15H,4,6,8,10-12H2,1-2H3,(H,21,24)/t15-/m1/s1
InChIKeyACGVDXHSPODOJE-OAHLLOKOSA-N
XLogP2.21
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methyl-4-[4-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-4-[4-(oxolan-2-ylmethylamino)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one
CID 159802367
N-methyl-2-(methylaminomethyl)-N-(oxolan-2-ylmethyl)aniline
CID 61431971
4-(1,4-dimethyl-1,3-dihydroisoindol-2-yl)-5-methyl-1H-pyridazin-6-one
CID 159329756
3-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]benzene-1,2-dicarbonitrile
CID 124889480
6-N-methyl-6-N-(oxan-2-ylmethyl)-1H-indazole-5,6-diamine
CID 107489292
[2-chloro-6-[methyl(oxolan-2-ylmethyl)amino]phenyl]methanol
CID 61432390
ethyl 2-amino-3-[methyl(oxolan-2-ylmethyl)amino]benzoate
CID 115545114
6-[methyl(oxan-2-ylmethyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 137272160
3-N-methyl-2-nitro-3-N-(oxolan-2-ylmethyl)benzene-1,3-diamine
CID 80796745
2-fluoro-6-[methyl(oxan-2-ylmethyl)amino]benzoic acid
CID 79522764
2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine
CID 61431770
2-(2-aminoethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 63787027

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[4-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-methyl-4-[4-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one (CID 157069642) is 5-methyl-4-[4-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-methyl-4-[4-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-methyl-4-[4-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one is Cc1c(N2Cc3cccc(N(C)C[C@H]4CCCO4)c3C2)cn[nH]c1=O.
What is the InChIKey of 5-methyl-4-[4-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one?
The InChIKey is ACGVDXHSPODOJE-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-18(9-20-21-19(13)24)23-10-14-5-3-7-17(16(14)12-23)22(2)11-15-6-4-8-25-15/h3,5,7,9,15H,4,6,8,10-12H2,1-2H3,(H,21,24)/t15-/m1/s1.
What are the key properties of 5-methyl-4-[4-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one?
5-methyl-4-[4-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one has a molecular weight of 340.43 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[4-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 157069642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).