N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide

C23H22ClF3N6O — CID 59133230

IUPACN-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide
SMILESNc1nccn2c(C3CCC(CNC(=O)C(F)(F)F)CC3)nc(-c3cc4cccc(Cl)c4[nH]3)c12
InChIInChI=1S/C23H22ClF3N6O/c24-15-3-1-2-14-10-16(31-17(14)15)18-19-20(28)29-8-9-33(19)21(32-18)13-6-4-12(5-7-13)11-30-22(34)23(25,26)27/h1-3,8-10,12-13,31H,4-7,11H2,(H2,28,29)(H,30,34)
InChIKeyNVMXXUMRWIWYMS-UHFFFAOYSA-N
MW490.92 g/mol
LogP5.07
Rot. Bonds4

About N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide

N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide (PubChem CID 59133230) has the molecular formula C23H22ClF3N6O and a molecular weight of 490.92 g/mol. Its IUPAC name is N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide
PubChem CID59133230
Molecular FormulaC23H22ClF3N6O
Molecular Weight490.92 g/mol
Exact Mass490.15
IUPAC NameN-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide
SMILESNc1nccn2c(C3CCC(CNC(=O)C(F)(F)F)CC3)nc(-c3cc4cccc(Cl)c4[nH]3)c12
InChIInChI=1S/C23H22ClF3N6O/c24-15-3-1-2-14-10-16(31-17(14)15)18-19-20(28)29-8-9-33(19)21(32-18)13-6-4-12(5-7-13)11-30-22(34)23(25,26)27/h1-3,8-10,12-13,31H,4-7,11H2,(H2,28,29)(H,30,34)
InChIKeyNVMXXUMRWIWYMS-UHFFFAOYSA-N
XLogP5.07
TPSA101.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.92
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide (CID 59133230) is N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide is Nc1nccn2c(C3CCC(CNC(=O)C(F)(F)F)CC3)nc(-c3cc4cccc(Cl)c4[nH]3)c12.
What is the InChIKey of N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide?
The InChIKey is NVMXXUMRWIWYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClF3N6O/c24-15-3-1-2-14-10-16(31-17(14)15)18-19-20(28)29-8-9-33(19)21(32-18)13-6-4-12(5-7-13)11-30-22(34)23(25,26)27/h1-3,8-10,12-13,31H,4-7,11H2,(H2,28,29)(H,30,34).
What are the key properties of N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide?
N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide has a molecular weight of 490.92 g/mol, XLogP of 5.07, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 59133230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).