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

C29H30N6 — CID 69305148

IUPACN-[3-[3-[(dimethylamino)methyl]cyclobutyl]imidazo[1,5-a]pyrazin-8-yl]-4-methyl-2-phenylquinolin-7-amine
SMILESCc1cc(-c2ccccc2)nc2cc(Nc3nccn4c(C5CC(CN(C)C)C5)ncc34)ccc12
InChIInChI=1S/C29H30N6/c1-19-13-25(21-7-5-4-6-8-21)33-26-16-23(9-10-24(19)26)32-28-27-17-31-29(35(27)12-11-30-28)22-14-20(15-22)18-34(2)3/h4-13,16-17,20,22H,14-15,18H2,1-3H3,(H,30,32)
InChIKeyUSRXEWZDGSHCDI-UHFFFAOYSA-N
MW462.60 g/mol
LogP6.05
Rot. Bonds6

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

N-[3-[3-[(dimethylamino)methyl]cyclobutyl]imidazo[1,5-a]pyrazin-8-yl]-4-methyl-2-phenylquinolin-7-amine (PubChem CID 69305148) has the molecular formula C29H30N6 and a molecular weight of 462.60 g/mol. Its IUPAC name is N-[3-[3-[(dimethylamino)methyl]cyclobutyl]imidazo[1,5-a]pyrazin-8-yl]-4-methyl-2-phenylquinolin-7-amine.

Molecular Properties

Compound NameN-[3-[3-[(dimethylamino)methyl]cyclobutyl]imidazo[1,5-a]pyrazin-8-yl]-4-methyl-2-phenylquinolin-7-amine
PubChem CID69305148
Molecular FormulaC29H30N6
Molecular Weight462.60 g/mol
Exact Mass462.25
IUPAC NameN-[3-[3-[(dimethylamino)methyl]cyclobutyl]imidazo[1,5-a]pyrazin-8-yl]-4-methyl-2-phenylquinolin-7-amine
SMILESCc1cc(-c2ccccc2)nc2cc(Nc3nccn4c(C5CC(CN(C)C)C5)ncc34)ccc12
InChIInChI=1S/C29H30N6/c1-19-13-25(21-7-5-4-6-8-21)33-26-16-23(9-10-24(19)26)32-28-27-17-31-29(35(27)12-11-30-28)22-14-20(15-22)18-34(2)3/h4-13,16-17,20,22H,14-15,18H2,1-3H3,(H,30,32)
InChIKeyUSRXEWZDGSHCDI-UHFFFAOYSA-N
XLogP6.05
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.60
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-[3-[(dimethylamino)methyl]cyclobutyl]imidazo[1,5-a]pyrazin-8-yl]-4-methyl-2-phenylquinolin-7-amine with MolForge

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Related Compounds

3-(3-methylcyclobutyl)-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 70905183
3-cyclobutyl-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 11718383
7-[8-amino-3-[3-[(dimethylamino)methyl]cyclobutyl]imidazo[1,5-a]pyrazin-1-yl]-6-chloro-N-phenylquinolin-2-amine
CID 66676921
4-methyl-2-phenyl-1,7-naphthyridine
CID 71032237
7-(dimethylsulfamoylamino)-4-methyl-2-(1-methylpyrazol-4-yl)quinoline
CID 169416201
N-(1-methylindazol-6-yl)-7-phenyl-1,6-naphthyridin-5-amine
CID 165077653
N,N-dimethyl-1-[3-[3-(4-methyl-2-thiophen-2-ylquinolin-7-yl)-2H-imidazol-1-yl]cyclobutyl]methanamine
CID 141127278
7-(8-amino-3-cyclohexylimidazo[1,5-a]pyrazin-1-yl)-4-methyl-N-phenylquinolin-2-amine
CID 68898257
3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclobutan-1-ol
CID 89361635
3-[3-(nitrosomethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 143495204
N,N-dimethyl-1-[3-[3-(4-methyl-2-phenoxyquinolin-7-yl)-2H-imidazol-1-yl]cyclobutyl]methanamine
CID 69327155
2,4-dimethyl-N-phenylquinazolin-7-amine
CID 175557011

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[(dimethylamino)methyl]cyclobutyl]imidazo[1,5-a]pyrazin-8-yl]-4-methyl-2-phenylquinolin-7-amine?
The IUPAC name of N-[3-[3-[(dimethylamino)methyl]cyclobutyl]imidazo[1,5-a]pyrazin-8-yl]-4-methyl-2-phenylquinolin-7-amine (CID 69305148) is N-[3-[3-[(dimethylamino)methyl]cyclobutyl]imidazo[1,5-a]pyrazin-8-yl]-4-methyl-2-phenylquinolin-7-amine.
What is the SMILES notation for N-[3-[3-[(dimethylamino)methyl]cyclobutyl]imidazo[1,5-a]pyrazin-8-yl]-4-methyl-2-phenylquinolin-7-amine?
The canonical SMILES for N-[3-[3-[(dimethylamino)methyl]cyclobutyl]imidazo[1,5-a]pyrazin-8-yl]-4-methyl-2-phenylquinolin-7-amine is Cc1cc(-c2ccccc2)nc2cc(Nc3nccn4c(C5CC(CN(C)C)C5)ncc34)ccc12.
What is the InChIKey of N-[3-[3-[(dimethylamino)methyl]cyclobutyl]imidazo[1,5-a]pyrazin-8-yl]-4-methyl-2-phenylquinolin-7-amine?
The InChIKey is USRXEWZDGSHCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6/c1-19-13-25(21-7-5-4-6-8-21)33-26-16-23(9-10-24(19)26)32-28-27-17-31-29(35(27)12-11-30-28)22-14-20(15-22)18-34(2)3/h4-13,16-17,20,22H,14-15,18H2,1-3H3,(H,30,32).
What are the key properties of N-[3-[3-[(dimethylamino)methyl]cyclobutyl]imidazo[1,5-a]pyrazin-8-yl]-4-methyl-2-phenylquinolin-7-amine?
N-[3-[3-[(dimethylamino)methyl]cyclobutyl]imidazo[1,5-a]pyrazin-8-yl]-4-methyl-2-phenylquinolin-7-amine has a molecular weight of 462.60 g/mol, XLogP of 6.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[(dimethylamino)methyl]cyclobutyl]imidazo[1,5-a]pyrazin-8-yl]-4-methyl-2-phenylquinolin-7-amine is sourced from PubChem (CID 69305148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).