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

C24H25F3N6O2 — CID 59133137

IUPACN-[[4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide
SMILESCOc1cccc2cc(-c3nc(C4CCC(CNC(=O)C(F)(F)F)CC4)n4ccnc(N)c34)[nH]c12
InChIInChI=1S/C24H25F3N6O2/c1-35-17-4-2-3-15-11-16(31-18(15)17)19-20-21(28)29-9-10-33(20)22(32-19)14-7-5-13(6-8-14)12-30-23(34)24(25,26)27/h2-4,9-11,13-14,31H,5-8,12H2,1H3,(H2,28,29)(H,30,34)
InChIKeyOPQKCEQZICQTRR-UHFFFAOYSA-N
MW486.50 g/mol
LogP4.42
Rot. Bonds5

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

N-[[4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide (PubChem CID 59133137) has the molecular formula C24H25F3N6O2 and a molecular weight of 486.50 g/mol. Its IUPAC name is N-[[4-[8-amino-1-(7-methoxy-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-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide
PubChem CID59133137
Molecular FormulaC24H25F3N6O2
Molecular Weight486.50 g/mol
Exact Mass486.20
IUPAC NameN-[[4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide
SMILESCOc1cccc2cc(-c3nc(C4CCC(CNC(=O)C(F)(F)F)CC4)n4ccnc(N)c34)[nH]c12
InChIInChI=1S/C24H25F3N6O2/c1-35-17-4-2-3-15-11-16(31-18(15)17)19-20-21(28)29-9-10-33(20)22(32-19)14-7-5-13(6-8-14)12-30-23(34)24(25,26)27/h2-4,9-11,13-14,31H,5-8,12H2,1H3,(H2,28,29)(H,30,34)
InChIKeyOPQKCEQZICQTRR-UHFFFAOYSA-N
XLogP4.42
TPSA110.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.50
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[4-[8-amino-1-(7-methoxy-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-methoxy-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-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide (CID 59133137) is N-[[4-[8-amino-1-(7-methoxy-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-methoxy-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-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide is COc1cccc2cc(-c3nc(C4CCC(CNC(=O)C(F)(F)F)CC4)n4ccnc(N)c34)[nH]c12.
What is the InChIKey of N-[[4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide?
The InChIKey is OPQKCEQZICQTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N6O2/c1-35-17-4-2-3-15-11-16(31-18(15)17)19-20-21(28)29-9-10-33(20)22(32-19)14-7-5-13(6-8-14)12-30-23(34)24(25,26)27/h2-4,9-11,13-14,31H,5-8,12H2,1H3,(H2,28,29)(H,30,34).
What are the key properties of N-[[4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide?
N-[[4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide has a molecular weight of 486.50 g/mol, XLogP of 4.42, 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-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 59133137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).