N-[(1R)-1-(3-fluoro-5-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine

C22H25FN4O — CID 158500530

IUPACN-[(1R)-1-(3-fluoro-5-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine
SMILESCc1cc(F)cc([C@@H](C)Nc2nnc(C)c3ccc(N4CCOCC4)cc23)c1
InChIInChI=1S/C22H25FN4O/c1-14-10-17(12-18(23)11-14)15(2)24-22-21-13-19(27-6-8-28-9-7-27)4-5-20(21)16(3)25-26-22/h4-5,10-13,15H,6-9H2,1-3H3,(H,24,26)/t15-/m1/s1
InChIKeyOTTPYYXPIVOYEL-OAHLLOKOSA-N
MW380.47 g/mol
LogP4.40
Rot. Bonds4

About N-[(1R)-1-(3-fluoro-5-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine

N-[(1R)-1-(3-fluoro-5-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine (PubChem CID 158500530) has the molecular formula C22H25FN4O and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[(1R)-1-(3-fluoro-5-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3-fluoro-5-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine
PubChem CID158500530
Molecular FormulaC22H25FN4O
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC NameN-[(1R)-1-(3-fluoro-5-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine
SMILESCc1cc(F)cc([C@@H](C)Nc2nnc(C)c3ccc(N4CCOCC4)cc23)c1
InChIInChI=1S/C22H25FN4O/c1-14-10-17(12-18(23)11-14)15(2)24-22-21-13-19(27-6-8-28-9-7-27)4-5-20(21)16(3)25-26-22/h4-5,10-13,15H,6-9H2,1-3H3,(H,24,26)/t15-/m1/s1
InChIKeyOTTPYYXPIVOYEL-OAHLLOKOSA-N
XLogP4.40
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-3-[(1R)-1-[(4-methyl-7-morpholin-4-ylphthalazin-1-yl)amino]ethyl]-5-(trifluoromethyl)benzenediazonium
CID 160814004
(1S)-1-(2-chloro-3-methylphenyl)-N'-(4-methyl-7-morpholin-4-ylphthalazin-1-yl)methanediamine
CID 156526600
7-[(6R)-6-fluoro-1,4-diazepan-1-yl]-4-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]phthalazin-1-amine
CID 159136648
N-[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]-4-methyl-7-piperazin-1-ylphthalazin-1-amine
CID 156527282
N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine
CID 158039526
N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine
CID 176710261
4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-morpholin-4-yl-2H-phthalazin-1-one
CID 172782325
2-methyl-3-[(1R)-1-[[4-methyl-7-(5-methyl-8-oxa-2,5-diazaspiro[3.5]nonan-2-yl)phthalazin-1-yl]amino]ethyl]benzonitrile
CID 156527555
4-(1-methylphthalazin-6-yl)morpholine
CID 175916256
N-[1-(6-methoxy-3-pyridinyl)ethyl]-6-morpholin-4-ylquinazolin-4-amine
CID 166284258
4-(3-fluoro-5-propan-2-ylphenyl)morpholine
CID 58780458
5-fluoro-2-methyl-3-[1-[(2-methyl-6-morpholin-4-ylquinolin-4-yl)amino]ethyl]benzonitrile
CID 175500321

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-fluoro-5-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine?
The IUPAC name of N-[(1R)-1-(3-fluoro-5-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine (CID 158500530) is N-[(1R)-1-(3-fluoro-5-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine.
What is the SMILES notation for N-[(1R)-1-(3-fluoro-5-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine?
The canonical SMILES for N-[(1R)-1-(3-fluoro-5-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine is Cc1cc(F)cc([C@@H](C)Nc2nnc(C)c3ccc(N4CCOCC4)cc23)c1.
What is the InChIKey of N-[(1R)-1-(3-fluoro-5-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine?
The InChIKey is OTTPYYXPIVOYEL-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H25FN4O/c1-14-10-17(12-18(23)11-14)15(2)24-22-21-13-19(27-6-8-28-9-7-27)4-5-20(21)16(3)25-26-22/h4-5,10-13,15H,6-9H2,1-3H3,(H,24,26)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(3-fluoro-5-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine?
N-[(1R)-1-(3-fluoro-5-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine has a molecular weight of 380.47 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-fluoro-5-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine is sourced from PubChem (CID 158500530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).