5-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol

C20H26N4O — CID 164544830

IUPAC5-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol
SMILESCc1cc(N[C@@H]2CCCN(C)C2)nnc1-c1ccc2c(c1O)CCC2
InChIInChI=1S/C20H26N4O/c1-13-11-18(21-15-6-4-10-24(2)12-15)22-23-19(13)17-9-8-14-5-3-7-16(14)20(17)25/h8-9,11,15,25H,3-7,10,12H2,1-2H3,(H,21,22)/t15-/m1/s1
InChIKeyLPJKDXMCIXVYLY-OAHLLOKOSA-N
MW338.46 g/mol
LogP3.15
Rot. Bonds3

About 5-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol

5-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol (PubChem CID 164544830) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 5-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name5-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol
PubChem CID164544830
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name5-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol
SMILESCc1cc(N[C@@H]2CCCN(C)C2)nnc1-c1ccc2c(c1O)CCC2
InChIInChI=1S/C20H26N4O/c1-13-11-18(21-15-6-4-10-24(2)12-15)22-23-19(13)17-9-8-14-5-3-7-16(14)20(17)25/h8-9,11,15,25H,3-7,10,12H2,1-2H3,(H,21,22)/t15-/m1/s1
InChIKeyLPJKDXMCIXVYLY-OAHLLOKOSA-N
XLogP3.15
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol with MolForge

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Related Compounds

5-[6-[(1-cyclobutylpiperidin-3-yl)amino]-4-methylpyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol
CID 170442079
6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-5-ol
CID 164544832
5-[4-methyl-6-[[(3R)-1-(oxetan-3-yl)piperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol
CID 170442389
6-(5-methoxy-2,3-dihydro-1H-inden-4-yl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
CID 172518745
2-methyl-6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-3-(trifluoromethyl)phenol
CID 170381964
5-[6-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]amino]-4-methylpyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol
CID 170444102
5-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol
CID 167137940
2-[4-methyl-6-[[(3S)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-phenylphenol
CID 170442310
2-[4-methyl-6-[[(3S)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-methylsulfonylphenol
CID 170442521
6-(4-chloro-2-methoxyphenyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
CID 167137954
6-(3-methoxy-4-pyridinyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
CID 167137767
5-hydroxy-6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]pyridine-3-carbonitrile
CID 170382205

Frequently Asked Questions

What is the IUPAC name of 5-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 5-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol (CID 164544830) is 5-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 5-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 5-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol is Cc1cc(N[C@@H]2CCCN(C)C2)nnc1-c1ccc2c(c1O)CCC2.
What is the InChIKey of 5-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol?
The InChIKey is LPJKDXMCIXVYLY-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H26N4O/c1-13-11-18(21-15-6-4-10-24(2)12-15)22-23-19(13)17-9-8-14-5-3-7-16(14)20(17)25/h8-9,11,15,25H,3-7,10,12H2,1-2H3,(H,21,22)/t15-/m1/s1.
What are the key properties of 5-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol?
5-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol has a molecular weight of 338.46 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 164544830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).