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

C28H28F3N7O2 — CID 67575434

IUPAC4-[8-amino-1-[7-(trifluoromethoxy)-2,3-dihydro-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)c5N4)c4c(N)nccn34)CC2)cn1
InChIInChI=1S/C28H28F3N7O2/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/h2-5,10-12,14,16-17,20,36H,6-9,13H2,1H3,(H2,32,33)(H,35,39)
InChIKeyHWAVCEIJICZZEG-UHFFFAOYSA-N
MW551.57 g/mol
LogP5.54
Rot. Bonds5

About 4-[8-amino-1-[7-(trifluoromethoxy)-2,3-dihydro-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)-2,3-dihydro-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide (PubChem CID 67575434) has the molecular formula C28H28F3N7O2 and a molecular weight of 551.57 g/mol. Its IUPAC name is 4-[8-amino-1-[7-(trifluoromethoxy)-2,3-dihydro-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)-2,3-dihydro-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide
PubChem CID67575434
Molecular FormulaC28H28F3N7O2
Molecular Weight551.57 g/mol
Exact Mass551.23
IUPAC Name4-[8-amino-1-[7-(trifluoromethoxy)-2,3-dihydro-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)c5N4)c4c(N)nccn34)CC2)cn1
InChIInChI=1S/C28H28F3N7O2/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/h2-5,10-12,14,16-17,20,36H,6-9,13H2,1H3,(H2,32,33)(H,35,39)
InChIKeyHWAVCEIJICZZEG-UHFFFAOYSA-N
XLogP5.54
TPSA119.46 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.57
LogP ≤ 55.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[8-amino-1-[7-(trifluoromethoxy)-2,3-dihydro-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)-2,3-dihydro-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)-2,3-dihydro-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide (CID 67575434) is 4-[8-amino-1-[7-(trifluoromethoxy)-2,3-dihydro-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)-2,3-dihydro-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)-2,3-dihydro-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)c5N4)c4c(N)nccn34)CC2)cn1.
What is the InChIKey of 4-[8-amino-1-[7-(trifluoromethoxy)-2,3-dihydro-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide?
The InChIKey is HWAVCEIJICZZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F3N7O2/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/h2-5,10-12,14,16-17,20,36H,6-9,13H2,1H3,(H2,32,33)(H,35,39).
What are the key properties of 4-[8-amino-1-[7-(trifluoromethoxy)-2,3-dihydro-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)-2,3-dihydro-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide has a molecular weight of 551.57 g/mol, XLogP of 5.54, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-1-[7-(trifluoromethoxy)-2,3-dihydro-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 67575434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).