4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide

C28H26F3N7O2 — CID 59133029

IUPAC4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCC(c3nc(-c4cc5cccc(OC(F)(F)F)c5[nH]4)c4c(N)nccn34)CC2)cn1
InChIInChI=1S/C28H26F3N7O2/c1-15-5-10-19(14-34-15)35-27(39)17-8-6-16(7-9-17)26-37-23(24-25(32)33-11-12-38(24)26)20-13-18-3-2-4-21(22(18)36-20)40-28(29,30)31/h2-5,10-14,16-17,36H,6-9H2,1H3,(H2,32,33)(H,35,39)
InChIKeyVGTWLLLHEQGEKP-UHFFFAOYSA-N
MW549.56 g/mol
LogP5.97
Rot. Bonds5

About 4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide

4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide (PubChem CID 59133029) has the molecular formula C28H26F3N7O2 and a molecular weight of 549.56 g/mol. Its IUPAC name is 4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide
PubChem CID59133029
Molecular FormulaC28H26F3N7O2
Molecular Weight549.56 g/mol
Exact Mass549.21
IUPAC Name4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCC(c3nc(-c4cc5cccc(OC(F)(F)F)c5[nH]4)c4c(N)nccn34)CC2)cn1
InChIInChI=1S/C28H26F3N7O2/c1-15-5-10-19(14-34-15)35-27(39)17-8-6-16(7-9-17)26-37-23(24-25(32)33-11-12-38(24)26)20-13-18-3-2-4-21(22(18)36-20)40-28(29,30)31/h2-5,10-14,16-17,36H,6-9H2,1H3,(H2,32,33)(H,35,39)
InChIKeyVGTWLLLHEQGEKP-UHFFFAOYSA-N
XLogP5.97
TPSA123.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.56
LogP ≤ 55.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide (CID 59133029) is 4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide is Cc1ccc(NC(=O)C2CCC(c3nc(-c4cc5cccc(OC(F)(F)F)c5[nH]4)c4c(N)nccn34)CC2)cn1.
What is the InChIKey of 4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide?
The InChIKey is VGTWLLLHEQGEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F3N7O2/c1-15-5-10-19(14-34-15)35-27(39)17-8-6-16(7-9-17)26-37-23(24-25(32)33-11-12-38(24)26)20-13-18-3-2-4-21(22(18)36-20)40-28(29,30)31/h2-5,10-14,16-17,36H,6-9H2,1H3,(H2,32,33)(H,35,39).
What are the key properties of 4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide?
4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide has a molecular weight of 549.56 g/mol, XLogP of 5.97, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 59133029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).