fluorocyclohexane;3-(3-methylcyclobutyl)-1-(1-methylidene-2H-isoquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine

C27H32FN5 — CID 178177525

IUPACfluorocyclohexane;3-(3-methylcyclobutyl)-1-(1-methylidene-2H-isoquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESC=C1NC=Cc2ccc(-c3nc(C4CC(C)C4)n4ccnc(N)c34)cc21.FC1CCCCC1
InChIInChI=1S/C21H21N5.C6H11F/c1-12-9-16(10-12)21-25-18(19-20(22)24-7-8-26(19)21)15-4-3-14-5-6-23-13(2)17(14)11-15;7-6-4-2-1-3-5-6/h3-8,11-12,16,23H,2,9-10H2,1H3,(H2,22,24);6H,1-5H2
InChIKeyPNPYUGPTGZFCNZ-UHFFFAOYSA-N
MW445.59 g/mol
LogP6.33
Rot. Bonds2

About fluorocyclohexane;3-(3-methylcyclobutyl)-1-(1-methylidene-2H-isoquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine

fluorocyclohexane;3-(3-methylcyclobutyl)-1-(1-methylidene-2H-isoquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 178177525) has the molecular formula C27H32FN5 and a molecular weight of 445.59 g/mol. Its IUPAC name is fluorocyclohexane;3-(3-methylcyclobutyl)-1-(1-methylidene-2H-isoquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Namefluorocyclohexane;3-(3-methylcyclobutyl)-1-(1-methylidene-2H-isoquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID178177525
Molecular FormulaC27H32FN5
Molecular Weight445.59 g/mol
Exact Mass445.26
IUPAC Namefluorocyclohexane;3-(3-methylcyclobutyl)-1-(1-methylidene-2H-isoquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESC=C1NC=Cc2ccc(-c3nc(C4CC(C)C4)n4ccnc(N)c34)cc21.FC1CCCCC1
InChIInChI=1S/C21H21N5.C6H11F/c1-12-9-16(10-12)21-25-18(19-20(22)24-7-8-26(19)21)15-4-3-14-5-6-23-13(2)17(14)11-15;7-6-4-2-1-3-5-6/h3-8,11-12,16,23H,2,9-10H2,1H3,(H2,22,24);6H,1-5H2
InChIKeyPNPYUGPTGZFCNZ-UHFFFAOYSA-N
XLogP6.33
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.59
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of fluorocyclohexane;3-(3-methylcyclobutyl)-1-(1-methylidene-2H-isoquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of fluorocyclohexane;3-(3-methylcyclobutyl)-1-(1-methylidene-2H-isoquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (CID 178177525) is fluorocyclohexane;3-(3-methylcyclobutyl)-1-(1-methylidene-2H-isoquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for fluorocyclohexane;3-(3-methylcyclobutyl)-1-(1-methylidene-2H-isoquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for fluorocyclohexane;3-(3-methylcyclobutyl)-1-(1-methylidene-2H-isoquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is C=C1NC=Cc2ccc(-c3nc(C4CC(C)C4)n4ccnc(N)c34)cc21.FC1CCCCC1.
What is the InChIKey of fluorocyclohexane;3-(3-methylcyclobutyl)-1-(1-methylidene-2H-isoquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is PNPYUGPTGZFCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5.C6H11F/c1-12-9-16(10-12)21-25-18(19-20(22)24-7-8-26(19)21)15-4-3-14-5-6-23-13(2)17(14)11-15;7-6-4-2-1-3-5-6/h3-8,11-12,16,23H,2,9-10H2,1H3,(H2,22,24);6H,1-5H2.
What are the key properties of fluorocyclohexane;3-(3-methylcyclobutyl)-1-(1-methylidene-2H-isoquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
fluorocyclohexane;3-(3-methylcyclobutyl)-1-(1-methylidene-2H-isoquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 445.59 g/mol, XLogP of 6.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for fluorocyclohexane;3-(3-methylcyclobutyl)-1-(1-methylidene-2H-isoquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 178177525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).