ethane;1-(2-phenylquinolin-7-yl)-3-[3-(thiophen-2-ylmethylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine

C32H32N6S — CID 143120597

IUPACethane;1-(2-phenylquinolin-7-yl)-3-[3-(thiophen-2-ylmethylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
SMILESCC.Nc1nccn2c(C3CC(NCc4cccs4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C30H26N6S.C2H6/c31-29-28-27(21-9-8-20-10-11-25(34-26(20)17-21)19-5-2-1-3-6-19)35-30(36(28)13-12-32-29)22-15-23(16-22)33-18-24-7-4-14-37-24;1-2/h1-14,17,22-23,33H,15-16,18H2,(H2,31,32);1-2H3
InChIKeyKSHUKTGAVDBXFK-UHFFFAOYSA-N
MW532.72 g/mol
LogP7.32
Rot. Bonds6

About ethane;1-(2-phenylquinolin-7-yl)-3-[3-(thiophen-2-ylmethylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine

ethane;1-(2-phenylquinolin-7-yl)-3-[3-(thiophen-2-ylmethylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 143120597) has the molecular formula C32H32N6S and a molecular weight of 532.72 g/mol. Its IUPAC name is ethane;1-(2-phenylquinolin-7-yl)-3-[3-(thiophen-2-ylmethylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Nameethane;1-(2-phenylquinolin-7-yl)-3-[3-(thiophen-2-ylmethylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
PubChem CID143120597
Molecular FormulaC32H32N6S
Molecular Weight532.72 g/mol
Exact Mass532.24
IUPAC Nameethane;1-(2-phenylquinolin-7-yl)-3-[3-(thiophen-2-ylmethylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
SMILESCC.Nc1nccn2c(C3CC(NCc4cccs4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C30H26N6S.C2H6/c31-29-28-27(21-9-8-20-10-11-25(34-26(20)17-21)19-5-2-1-3-6-19)35-30(36(28)13-12-32-29)22-15-23(16-22)33-18-24-7-4-14-37-24;1-2/h1-14,17,22-23,33H,15-16,18H2,(H2,31,32);1-2H3
InChIKeyKSHUKTGAVDBXFK-UHFFFAOYSA-N
XLogP7.32
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.72
LogP ≤ 57.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[cis-3-(4-Methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 16214946
2-thiophen-2-yl-3H-imidazo[4,5-c]quinoline
CID 10705898
(S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-(aminomethyl)thiophen-3-yl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 53320547
N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-(1H-indol-6-yl)thieno[3,2-d]pyrimidin-2-amine
CID 164627693
2-N-(4-aminocyclohexyl)-9-propan-2-yl-6-N-[(4-thiophen-3-ylphenyl)methyl]purine-2,6-diamine
CID 9804366
(2-Imidazol-1-yl-quinazolin-4-yl)-thiophen-2-ylmethyl-amine
CID 9995367
cis-3-(3-(Azetidin-1-ylmethyl)cyclobutyl)-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 11583459
3-Cyclobutyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 11632540
3-[3-[(Dimethylamino)methyl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 11690914
2-N-(4-aminocyclohexyl)-9-propan-2-yl-6-N-[(4-thiophen-2-ylphenyl)methyl]purine-2,6-diamine
CID 12111717
2-[[1-[4,4-Bis(4-fluorophenyl)butyl]piperidin-4-yl]methyl]-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
CID 14013470
2-N-(4-aminocyclohexyl)-9-propan-2-yl-6-N-[(6-thiophen-3-yl-3-pyridinyl)methyl]purine-2,6-diamine
CID 21362604

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-phenylquinolin-7-yl)-3-[3-(thiophen-2-ylmethylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of ethane;1-(2-phenylquinolin-7-yl)-3-[3-(thiophen-2-ylmethylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine (CID 143120597) is ethane;1-(2-phenylquinolin-7-yl)-3-[3-(thiophen-2-ylmethylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for ethane;1-(2-phenylquinolin-7-yl)-3-[3-(thiophen-2-ylmethylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for ethane;1-(2-phenylquinolin-7-yl)-3-[3-(thiophen-2-ylmethylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine is CC.Nc1nccn2c(C3CC(NCc4cccs4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.
What is the InChIKey of ethane;1-(2-phenylquinolin-7-yl)-3-[3-(thiophen-2-ylmethylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is KSHUKTGAVDBXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N6S.C2H6/c31-29-28-27(21-9-8-20-10-11-25(34-26(20)17-21)19-5-2-1-3-6-19)35-30(36(28)13-12-32-29)22-15-23(16-22)33-18-24-7-4-14-37-24;1-2/h1-14,17,22-23,33H,15-16,18H2,(H2,31,32);1-2H3.
What are the key properties of ethane;1-(2-phenylquinolin-7-yl)-3-[3-(thiophen-2-ylmethylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine?
ethane;1-(2-phenylquinolin-7-yl)-3-[3-(thiophen-2-ylmethylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 532.72 g/mol, XLogP of 7.32, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-phenylquinolin-7-yl)-3-[3-(thiophen-2-ylmethylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 143120597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).