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

C21H28N4O — CID 172518745

IUPAC6-(5-methoxy-2,3-dihydro-1H-inden-4-yl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
SMILESCOc1ccc2c(c1-c1nnc(N[C@@H]3CCCN(C)C3)cc1C)CCC2
InChIInChI=1S/C21H28N4O/c1-14-12-19(22-16-7-5-11-25(2)13-16)23-24-21(14)20-17-8-4-6-15(17)9-10-18(20)26-3/h9-10,12,16H,4-8,11,13H2,1-3H3,(H,22,23)/t16-/m1/s1
InChIKeyRIBOEPHCAQLFEU-MRXNPFEDSA-N
MW352.48 g/mol
LogP3.46
Rot. Bonds4

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

6-(5-methoxy-2,3-dihydro-1H-inden-4-yl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine (PubChem CID 172518745) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 6-(5-methoxy-2,3-dihydro-1H-inden-4-yl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine.

Molecular Properties

Compound Name6-(5-methoxy-2,3-dihydro-1H-inden-4-yl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
PubChem CID172518745
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name6-(5-methoxy-2,3-dihydro-1H-inden-4-yl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
SMILESCOc1ccc2c(c1-c1nnc(N[C@@H]3CCCN(C)C3)cc1C)CCC2
InChIInChI=1S/C21H28N4O/c1-14-12-19(22-16-7-5-11-25(2)13-16)23-24-21(14)20-17-8-4-6-15(17)9-10-18(20)26-3/h9-10,12,16H,4-8,11,13H2,1-3H3,(H,22,23)/t16-/m1/s1
InChIKeyRIBOEPHCAQLFEU-MRXNPFEDSA-N
XLogP3.46
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

5-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol
CID 164544830
6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-5-ol
CID 164544832
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
6-(2-methoxy-4-methylsulfonylphenyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
CID 171586047
6-(5-methoxy-2,3-dihydro-1H-inden-4-yl)-5-methylpyridazin-3-amine
CID 167138148
5-[6-[(1-cyclobutylpiperidin-3-yl)amino]-4-methylpyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol
CID 170442079
6-(8-methoxyquinolin-7-yl)-5-methyl-N-[(3S)-1-methylpiperidin-3-yl]pyridazin-3-amine
CID 171586094
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-ethyl-2-pyridinyl)-5-methyl-N-(1-methylpiperidin-3-yl)pyridazin-3-amine
CID 175435295
6-(5-ethynyl-2-pyridinyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
CID 176742559
6-(2-methoxynaphthalen-1-yl)-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
CID 167137722

Frequently Asked Questions

What is the IUPAC name of 6-(5-methoxy-2,3-dihydro-1H-inden-4-yl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine?
The IUPAC name of 6-(5-methoxy-2,3-dihydro-1H-inden-4-yl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine (CID 172518745) is 6-(5-methoxy-2,3-dihydro-1H-inden-4-yl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine.
What is the SMILES notation for 6-(5-methoxy-2,3-dihydro-1H-inden-4-yl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine?
The canonical SMILES for 6-(5-methoxy-2,3-dihydro-1H-inden-4-yl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine is COc1ccc2c(c1-c1nnc(N[C@@H]3CCCN(C)C3)cc1C)CCC2.
What is the InChIKey of 6-(5-methoxy-2,3-dihydro-1H-inden-4-yl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine?
The InChIKey is RIBOEPHCAQLFEU-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H28N4O/c1-14-12-19(22-16-7-5-11-25(2)13-16)23-24-21(14)20-17-8-4-6-15(17)9-10-18(20)26-3/h9-10,12,16H,4-8,11,13H2,1-3H3,(H,22,23)/t16-/m1/s1.
What are the key properties of 6-(5-methoxy-2,3-dihydro-1H-inden-4-yl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine?
6-(5-methoxy-2,3-dihydro-1H-inden-4-yl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine has a molecular weight of 352.48 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methoxy-2,3-dihydro-1H-inden-4-yl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine is sourced from PubChem (CID 172518745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).