7-[3-(dimethylamino)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine

C25H33N5 — CID 157323131

IUPAC7-[3-(dimethylamino)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine
SMILESCc1cccc([C@@H](C)Nc2nncc3ccc(N4CCCC(N(C)C)C4)cc23)c1C
InChIInChI=1S/C25H33N5/c1-17-8-6-10-23(18(17)2)19(3)27-25-24-14-21(12-11-20(24)15-26-28-25)30-13-7-9-22(16-30)29(4)5/h6,8,10-12,14-15,19,22H,7,9,13,16H2,1-5H3,(H,27,28)/t19-,22?/m1/s1
InChIKeyIVIHZEJZFLCOSQ-LCQOSCCDSA-N
MW403.57 g/mol
LogP4.95
Rot. Bonds5

About 7-[3-(dimethylamino)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine

7-[3-(dimethylamino)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine (PubChem CID 157323131) has the molecular formula C25H33N5 and a molecular weight of 403.57 g/mol. Its IUPAC name is 7-[3-(dimethylamino)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine.

Molecular Properties

Compound Name7-[3-(dimethylamino)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine
PubChem CID157323131
Molecular FormulaC25H33N5
Molecular Weight403.57 g/mol
Exact Mass403.27
IUPAC Name7-[3-(dimethylamino)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine
SMILESCc1cccc([C@@H](C)Nc2nncc3ccc(N4CCCC(N(C)C)C4)cc23)c1C
InChIInChI=1S/C25H33N5/c1-17-8-6-10-23(18(17)2)19(3)27-25-24-14-21(12-11-20(24)15-26-28-25)30-13-7-9-22(16-30)29(4)5/h6,8,10-12,14-15,19,22H,7,9,13,16H2,1-5H3,(H,27,28)/t19-,22?/m1/s1
InChIKeyIVIHZEJZFLCOSQ-LCQOSCCDSA-N
XLogP4.95
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(dimethylamino)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine?
The IUPAC name of 7-[3-(dimethylamino)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine (CID 157323131) is 7-[3-(dimethylamino)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine.
What is the SMILES notation for 7-[3-(dimethylamino)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine?
The canonical SMILES for 7-[3-(dimethylamino)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine is Cc1cccc([C@@H](C)Nc2nncc3ccc(N4CCCC(N(C)C)C4)cc23)c1C.
What is the InChIKey of 7-[3-(dimethylamino)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine?
The InChIKey is IVIHZEJZFLCOSQ-LCQOSCCDSA-N. The full InChI is InChI=1S/C25H33N5/c1-17-8-6-10-23(18(17)2)19(3)27-25-24-14-21(12-11-20(24)15-26-28-25)30-13-7-9-22(16-30)29(4)5/h6,8,10-12,14-15,19,22H,7,9,13,16H2,1-5H3,(H,27,28)/t19-,22?/m1/s1.
What are the key properties of 7-[3-(dimethylamino)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine?
7-[3-(dimethylamino)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine has a molecular weight of 403.57 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(dimethylamino)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine is sourced from PubChem (CID 157323131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).