7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine

C24H31N5O — CID 159702275

IUPAC7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine
SMILESCc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4C[C@@H](C)O[C@H](C)C4)cc23)c1C
InChIInChI=1S/C24H31N5O/c1-14-8-7-9-20(17(14)4)18(5)26-24-21-10-23(25-11-22(21)19(6)27-28-24)29-12-15(2)30-16(3)13-29/h7-11,15-16,18H,12-13H2,1-6H3,(H,26,28)/t15-,16-,18-/m1/s1
InChIKeyWOSYTEWXMNQGSQ-JFIYKMOQSA-N
MW405.55 g/mol
LogP4.74
Rot. Bonds4

About 7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine

7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine (PubChem CID 159702275) has the molecular formula C24H31N5O and a molecular weight of 405.55 g/mol. Its IUPAC name is 7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine.

Molecular Properties

Compound Name7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine
PubChem CID159702275
Molecular FormulaC24H31N5O
Molecular Weight405.55 g/mol
Exact Mass405.25
IUPAC Name7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine
SMILESCc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4C[C@@H](C)O[C@H](C)C4)cc23)c1C
InChIInChI=1S/C24H31N5O/c1-14-8-7-9-20(17(14)4)18(5)26-24-21-10-23(25-11-22(21)19(6)27-28-24)29-12-15(2)30-16(3)13-29/h7-11,15-16,18H,12-13H2,1-6H3,(H,26,28)/t15-,16-,18-/m1/s1
InChIKeyWOSYTEWXMNQGSQ-JFIYKMOQSA-N
XLogP4.74
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine?
The IUPAC name of 7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine (CID 159702275) is 7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine.
What is the SMILES notation for 7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine?
The canonical SMILES for 7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine is Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4C[C@@H](C)O[C@H](C)C4)cc23)c1C.
What is the InChIKey of 7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine?
The InChIKey is WOSYTEWXMNQGSQ-JFIYKMOQSA-N. The full InChI is InChI=1S/C24H31N5O/c1-14-8-7-9-20(17(14)4)18(5)26-24-21-10-23(25-11-22(21)19(6)27-28-24)29-12-15(2)30-16(3)13-29/h7-11,15-16,18H,12-13H2,1-6H3,(H,26,28)/t15-,16-,18-/m1/s1.
What are the key properties of 7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine?
7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine has a molecular weight of 405.55 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine is sourced from PubChem (CID 159702275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).