N-[[4-[8-amino-1-(2,3-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]benzamide

C28H30N6O — CID 67574845

IUPACN-[[4-[8-amino-1-(2,3-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]benzamide
SMILESNc1nccn2c(C3CCC(CNC(=O)c4ccccc4)CC3)nc(C3Cc4ccccc4N3)c12
InChIInChI=1S/C28H30N6O/c29-26-25-24(23-16-21-8-4-5-9-22(21)32-23)33-27(34(25)15-14-30-26)19-12-10-18(11-13-19)17-31-28(35)20-6-2-1-3-7-20/h1-9,14-15,18-19,23,32H,10-13,16-17H2,(H2,29,30)(H,31,35)
InChIKeyUCTWOAHKGXVTSR-UHFFFAOYSA-N
MW466.59 g/mol
LogP4.72
Rot. Bonds5

About N-[[4-[8-amino-1-(2,3-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]benzamide

N-[[4-[8-amino-1-(2,3-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]benzamide (PubChem CID 67574845) has the molecular formula C28H30N6O and a molecular weight of 466.59 g/mol. Its IUPAC name is N-[[4-[8-amino-1-(2,3-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]benzamide.

Molecular Properties

Compound NameN-[[4-[8-amino-1-(2,3-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]benzamide
PubChem CID67574845
Molecular FormulaC28H30N6O
Molecular Weight466.59 g/mol
Exact Mass466.25
IUPAC NameN-[[4-[8-amino-1-(2,3-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]benzamide
SMILESNc1nccn2c(C3CCC(CNC(=O)c4ccccc4)CC3)nc(C3Cc4ccccc4N3)c12
InChIInChI=1S/C28H30N6O/c29-26-25-24(23-16-21-8-4-5-9-22(21)32-23)33-27(34(25)15-14-30-26)19-12-10-18(11-13-19)17-31-28(35)20-6-2-1-3-7-20/h1-9,14-15,18-19,23,32H,10-13,16-17H2,(H2,29,30)(H,31,35)
InChIKeyUCTWOAHKGXVTSR-UHFFFAOYSA-N
XLogP4.72
TPSA97.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[8-amino-1-(2,3-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]benzamide?
The IUPAC name of N-[[4-[8-amino-1-(2,3-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]benzamide (CID 67574845) is N-[[4-[8-amino-1-(2,3-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]benzamide.
What is the SMILES notation for N-[[4-[8-amino-1-(2,3-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]benzamide?
The canonical SMILES for N-[[4-[8-amino-1-(2,3-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]benzamide is Nc1nccn2c(C3CCC(CNC(=O)c4ccccc4)CC3)nc(C3Cc4ccccc4N3)c12.
What is the InChIKey of N-[[4-[8-amino-1-(2,3-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]benzamide?
The InChIKey is UCTWOAHKGXVTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O/c29-26-25-24(23-16-21-8-4-5-9-22(21)32-23)33-27(34(25)15-14-30-26)19-12-10-18(11-13-19)17-31-28(35)20-6-2-1-3-7-20/h1-9,14-15,18-19,23,32H,10-13,16-17H2,(H2,29,30)(H,31,35).
What are the key properties of N-[[4-[8-amino-1-(2,3-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]benzamide?
N-[[4-[8-amino-1-(2,3-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]benzamide has a molecular weight of 466.59 g/mol, XLogP of 4.72, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[8-amino-1-(2,3-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]benzamide is sourced from PubChem (CID 67574845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).