ethane;1-(2-phenylquinolin-7-yl)-3-[3-(propylamino)cyclobutyl]-7H-imidazo[1,5-a]pyrazin-8-one

C30H33N5O — CID 143701214

IUPACethane;1-(2-phenylquinolin-7-yl)-3-[3-(propylamino)cyclobutyl]-7H-imidazo[1,5-a]pyrazin-8-one
SMILESCC.CCCNC1CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(=O)[nH]ccn23)C1
InChIInChI=1S/C28H27N5O.C2H6/c1-2-12-29-22-15-21(16-22)27-32-25(26-28(34)30-13-14-33(26)27)20-9-8-19-10-11-23(31-24(19)17-20)18-6-4-3-5-7-18;1-2/h3-11,13-14,17,21-22,29H,2,12,15-16H2,1H3,(H,30,34);1-2H3
InChIKeyITCLUIDTJKFPPP-UHFFFAOYSA-N
MW479.63 g/mol
LogP6.18
Rot. Bonds6

About ethane;1-(2-phenylquinolin-7-yl)-3-[3-(propylamino)cyclobutyl]-7H-imidazo[1,5-a]pyrazin-8-one

ethane;1-(2-phenylquinolin-7-yl)-3-[3-(propylamino)cyclobutyl]-7H-imidazo[1,5-a]pyrazin-8-one (PubChem CID 143701214) has the molecular formula C30H33N5O and a molecular weight of 479.63 g/mol. Its IUPAC name is ethane;1-(2-phenylquinolin-7-yl)-3-[3-(propylamino)cyclobutyl]-7H-imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Nameethane;1-(2-phenylquinolin-7-yl)-3-[3-(propylamino)cyclobutyl]-7H-imidazo[1,5-a]pyrazin-8-one
PubChem CID143701214
Molecular FormulaC30H33N5O
Molecular Weight479.63 g/mol
Exact Mass479.27
IUPAC Nameethane;1-(2-phenylquinolin-7-yl)-3-[3-(propylamino)cyclobutyl]-7H-imidazo[1,5-a]pyrazin-8-one
SMILESCC.CCCNC1CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(=O)[nH]ccn23)C1
InChIInChI=1S/C28H27N5O.C2H6/c1-2-12-29-22-15-21(16-22)27-32-25(26-28(34)30-13-14-33(26)27)20-9-8-19-10-11-23(31-24(19)17-20)18-6-4-3-5-7-18;1-2/h3-11,13-14,17,21-22,29H,2,12,15-16H2,1H3,(H,30,34);1-2H3
InChIKeyITCLUIDTJKFPPP-UHFFFAOYSA-N
XLogP6.18
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.63
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl-ethylamino]ethyl]carbamate
CID 143495307
3-[3-(dipropylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 71095809
3-[3-(nitrosomethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 143495204
3-[3-(azetidin-1-ylmethyl)cyclobutyl]-N-methyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 143701228
3-[3-[ethenyl(ethyl)amino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 143495280
7-[8-methyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline
CID 143120587
3-[4-(methylaminomethyl)cyclohexyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 71179461
3-[3-[[(E)-4-phenylbut-3-enyl]-propylamino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 143495250
3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(trideuteriomethyl)cyclobutan-1-ol
CID 52915009
1-(2-phenylquinolin-7-yl)-3-[3-(4-sulfanylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
CID 163615088
3-[1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-one
CID 87593436
1-[4-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 58023045

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-phenylquinolin-7-yl)-3-[3-(propylamino)cyclobutyl]-7H-imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of ethane;1-(2-phenylquinolin-7-yl)-3-[3-(propylamino)cyclobutyl]-7H-imidazo[1,5-a]pyrazin-8-one (CID 143701214) is ethane;1-(2-phenylquinolin-7-yl)-3-[3-(propylamino)cyclobutyl]-7H-imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for ethane;1-(2-phenylquinolin-7-yl)-3-[3-(propylamino)cyclobutyl]-7H-imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for ethane;1-(2-phenylquinolin-7-yl)-3-[3-(propylamino)cyclobutyl]-7H-imidazo[1,5-a]pyrazin-8-one is CC.CCCNC1CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(=O)[nH]ccn23)C1.
What is the InChIKey of ethane;1-(2-phenylquinolin-7-yl)-3-[3-(propylamino)cyclobutyl]-7H-imidazo[1,5-a]pyrazin-8-one?
The InChIKey is ITCLUIDTJKFPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O.C2H6/c1-2-12-29-22-15-21(16-22)27-32-25(26-28(34)30-13-14-33(26)27)20-9-8-19-10-11-23(31-24(19)17-20)18-6-4-3-5-7-18;1-2/h3-11,13-14,17,21-22,29H,2,12,15-16H2,1H3,(H,30,34);1-2H3.
What are the key properties of ethane;1-(2-phenylquinolin-7-yl)-3-[3-(propylamino)cyclobutyl]-7H-imidazo[1,5-a]pyrazin-8-one?
ethane;1-(2-phenylquinolin-7-yl)-3-[3-(propylamino)cyclobutyl]-7H-imidazo[1,5-a]pyrazin-8-one has a molecular weight of 479.63 g/mol, XLogP of 6.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-phenylquinolin-7-yl)-3-[3-(propylamino)cyclobutyl]-7H-imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 143701214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).