7-(1,3-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-4-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]phthalazin-1-amine

C27H29F3N6 — CID 156526662

IUPAC7-(1,3-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-4-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]phthalazin-1-amine
SMILESCc1nc(C)n2c1CN(c1ccc3c(C)nnc(N[C@H](C)c4cccc(C(F)(F)F)c4C)c3c1)CC2
InChIInChI=1S/C27H29F3N6/c1-15-21(7-6-8-24(15)27(28,29)30)16(2)32-26-23-13-20(9-10-22(23)17(3)33-34-26)35-11-12-36-19(5)31-18(4)25(36)14-35/h6-10,13,16H,11-12,14H2,1-5H3,(H,32,34)/t16-/m1/s1
InChIKeyKTFWOYIUYKTQPT-MRXNPFEDSA-N
MW494.57 g/mol
LogP6.27
Rot. Bonds4

About 7-(1,3-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-4-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]phthalazin-1-amine

7-(1,3-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-4-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]phthalazin-1-amine (PubChem CID 156526662) has the molecular formula C27H29F3N6 and a molecular weight of 494.57 g/mol. Its IUPAC name is 7-(1,3-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-4-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]phthalazin-1-amine.

Molecular Properties

Compound Name7-(1,3-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-4-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]phthalazin-1-amine
PubChem CID156526662
Molecular FormulaC27H29F3N6
Molecular Weight494.57 g/mol
Exact Mass494.24
IUPAC Name7-(1,3-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-4-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]phthalazin-1-amine
SMILESCc1nc(C)n2c1CN(c1ccc3c(C)nnc(N[C@H](C)c4cccc(C(F)(F)F)c4C)c3c1)CC2
InChIInChI=1S/C27H29F3N6/c1-15-21(7-6-8-24(15)27(28,29)30)16(2)32-26-23-13-20(9-10-22(23)17(3)33-34-26)35-11-12-36-19(5)31-18(4)25(36)14-35/h6-10,13,16H,11-12,14H2,1-5H3,(H,32,34)/t16-/m1/s1
InChIKeyKTFWOYIUYKTQPT-MRXNPFEDSA-N
XLogP6.27
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.57
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(1,3-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-4-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]phthalazin-1-amine with MolForge

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Related Compounds

Sos1-IN-12
CID 156495874
4-methyl-N-[1-(4-methylphenyl)-1H-benzimidazol-5-yl]phthalazin-1-amine
CID 1389797
5-methyl-N-(2-naphthyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 71594991
8-methyl-N-(2-phenylethyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 15989757
N-(3,4-dimethylphenyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 22431304
N-(3,4-dimethylphenyl)-8-methyl[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 22431376
8-methyl-N-[2-(3-methylphenyl)ethyl][1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 22431387
N-(1,2-dimethyl-1H-benzimidazol-5-yl)-4-phenyl-1-phthalazinamine
CID 6403897
3-naphthalen-1-yl-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine
CID 46942779
5-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 51349278
6-[Difluoro(6-phenyl-1,2,4-triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline
CID 57406399
3-[3-fluoro-4-(2-pyridylamino)phenyl]-N-(1-methyl-4-piperidyl)imidazo[1,2-b]pyridazin-6-amine
CID 66548923

Frequently Asked Questions

What is the IUPAC name of 7-(1,3-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-4-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]phthalazin-1-amine?
The IUPAC name of 7-(1,3-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-4-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]phthalazin-1-amine (CID 156526662) is 7-(1,3-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-4-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]phthalazin-1-amine.
What is the SMILES notation for 7-(1,3-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-4-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]phthalazin-1-amine?
The canonical SMILES for 7-(1,3-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-4-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]phthalazin-1-amine is Cc1nc(C)n2c1CN(c1ccc3c(C)nnc(N[C@H](C)c4cccc(C(F)(F)F)c4C)c3c1)CC2.
What is the InChIKey of 7-(1,3-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-4-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]phthalazin-1-amine?
The InChIKey is KTFWOYIUYKTQPT-MRXNPFEDSA-N. The full InChI is InChI=1S/C27H29F3N6/c1-15-21(7-6-8-24(15)27(28,29)30)16(2)32-26-23-13-20(9-10-22(23)17(3)33-34-26)35-11-12-36-19(5)31-18(4)25(36)14-35/h6-10,13,16H,11-12,14H2,1-5H3,(H,32,34)/t16-/m1/s1.
What are the key properties of 7-(1,3-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-4-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]phthalazin-1-amine?
7-(1,3-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-4-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]phthalazin-1-amine has a molecular weight of 494.57 g/mol, XLogP of 6.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,3-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-4-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]phthalazin-1-amine is sourced from PubChem (CID 156526662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).