7-(8-amino-3-cyclohexylimidazo[1,5-a]pyrazin-1-yl)-4-methyl-N-phenylquinolin-2-amine

C28H28N6 — CID 68898257

IUPAC7-(8-amino-3-cyclohexylimidazo[1,5-a]pyrazin-1-yl)-4-methyl-N-phenylquinolin-2-amine
SMILESCc1cc(Nc2ccccc2)nc2cc(-c3nc(C4CCCCC4)n4ccnc(N)c34)ccc12
InChIInChI=1S/C28H28N6/c1-18-16-24(31-21-10-6-3-7-11-21)32-23-17-20(12-13-22(18)23)25-26-27(29)30-14-15-34(26)28(33-25)19-8-4-2-5-9-19/h3,6-7,10-17,19H,2,4-5,8-9H2,1H3,(H2,29,30)(H,31,32)
InChIKeyUYOSHFJJPAKJIL-UHFFFAOYSA-N
MW448.57 g/mol
LogP6.63
Rot. Bonds4

About 7-(8-amino-3-cyclohexylimidazo[1,5-a]pyrazin-1-yl)-4-methyl-N-phenylquinolin-2-amine

7-(8-amino-3-cyclohexylimidazo[1,5-a]pyrazin-1-yl)-4-methyl-N-phenylquinolin-2-amine (PubChem CID 68898257) has the molecular formula C28H28N6 and a molecular weight of 448.57 g/mol. Its IUPAC name is 7-(8-amino-3-cyclohexylimidazo[1,5-a]pyrazin-1-yl)-4-methyl-N-phenylquinolin-2-amine.

Molecular Properties

Compound Name7-(8-amino-3-cyclohexylimidazo[1,5-a]pyrazin-1-yl)-4-methyl-N-phenylquinolin-2-amine
PubChem CID68898257
Molecular FormulaC28H28N6
Molecular Weight448.57 g/mol
Exact Mass448.24
IUPAC Name7-(8-amino-3-cyclohexylimidazo[1,5-a]pyrazin-1-yl)-4-methyl-N-phenylquinolin-2-amine
SMILESCc1cc(Nc2ccccc2)nc2cc(-c3nc(C4CCCCC4)n4ccnc(N)c34)ccc12
InChIInChI=1S/C28H28N6/c1-18-16-24(31-21-10-6-3-7-11-21)32-23-17-20(12-13-22(18)23)25-26-27(29)30-14-15-34(26)28(33-25)19-8-4-2-5-9-19/h3,6-7,10-17,19H,2,4-5,8-9H2,1H3,(H2,29,30)(H,31,32)
InChIKeyUYOSHFJJPAKJIL-UHFFFAOYSA-N
XLogP6.63
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 56.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclobutyl-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 11718383
3-(3-methylcyclobutyl)-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 70905183
3-cyclobutyl-1-(3-phenylquinoxalin-6-yl)imidazo[1,5-a]pyrazin-8-amine
CID 11560235
3-cyclohexyl-1-(2-pyridin-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 68899663
carbamic acid;3-cyclohexyl-1-(2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 68898085
[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-phenylmethanone
CID 44539284
1-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methylquinolin-7-yl]-3-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine
CID 130348839
5-(8-amino-3-cyclopropylimidazo[1,5-a]pyrazin-1-yl)-1,3-benzoxazol-2-amine
CID 172560854
1-[3-amino-4-(N-benzyl-C-methylcarbonimidoyl)phenyl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
CID 130348820
3-[4-(methylaminomethyl)cyclohexyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 71179461
1-(1-benzothiophen-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;ethane
CID 143469317
7-[8-amino-3-[3-[(dimethylamino)methyl]cyclobutyl]imidazo[1,5-a]pyrazin-1-yl]-6-chloro-N-phenylquinolin-2-amine
CID 66676921

Frequently Asked Questions

What is the IUPAC name of 7-(8-amino-3-cyclohexylimidazo[1,5-a]pyrazin-1-yl)-4-methyl-N-phenylquinolin-2-amine?
The IUPAC name of 7-(8-amino-3-cyclohexylimidazo[1,5-a]pyrazin-1-yl)-4-methyl-N-phenylquinolin-2-amine (CID 68898257) is 7-(8-amino-3-cyclohexylimidazo[1,5-a]pyrazin-1-yl)-4-methyl-N-phenylquinolin-2-amine.
What is the SMILES notation for 7-(8-amino-3-cyclohexylimidazo[1,5-a]pyrazin-1-yl)-4-methyl-N-phenylquinolin-2-amine?
The canonical SMILES for 7-(8-amino-3-cyclohexylimidazo[1,5-a]pyrazin-1-yl)-4-methyl-N-phenylquinolin-2-amine is Cc1cc(Nc2ccccc2)nc2cc(-c3nc(C4CCCCC4)n4ccnc(N)c34)ccc12.
What is the InChIKey of 7-(8-amino-3-cyclohexylimidazo[1,5-a]pyrazin-1-yl)-4-methyl-N-phenylquinolin-2-amine?
The InChIKey is UYOSHFJJPAKJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6/c1-18-16-24(31-21-10-6-3-7-11-21)32-23-17-20(12-13-22(18)23)25-26-27(29)30-14-15-34(26)28(33-25)19-8-4-2-5-9-19/h3,6-7,10-17,19H,2,4-5,8-9H2,1H3,(H2,29,30)(H,31,32).
What are the key properties of 7-(8-amino-3-cyclohexylimidazo[1,5-a]pyrazin-1-yl)-4-methyl-N-phenylquinolin-2-amine?
7-(8-amino-3-cyclohexylimidazo[1,5-a]pyrazin-1-yl)-4-methyl-N-phenylquinolin-2-amine has a molecular weight of 448.57 g/mol, XLogP of 6.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(8-amino-3-cyclohexylimidazo[1,5-a]pyrazin-1-yl)-4-methyl-N-phenylquinolin-2-amine is sourced from PubChem (CID 68898257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).