cyclohexyl-[4-[[3-[1-[(6-methoxypyridazin-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]methanone

C30H29F3N8O2 — CID 168822839

IUPACcyclohexyl-[4-[[3-[1-[(6-methoxypyridazin-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]methanone
SMILESCOc1ccc(Cn2cc(-c3cnc4c(Nc5ccc(C(=O)C6CCCCC6)c(C)c5)nccn34)c(C(F)(F)F)n2)nn1
InChIInChI=1S/C30H29F3N8O2/c1-18-14-20(8-10-22(18)26(42)19-6-4-3-5-7-19)36-28-29-35-15-24(41(29)13-12-34-28)23-17-40(39-27(23)30(31,32)33)16-21-9-11-25(43-2)38-37-21/h8-15,17,19H,3-7,16H2,1-2H3,(H,34,36)
InChIKeySASHFTPPSHOYMG-UHFFFAOYSA-N
MW590.61 g/mol
LogP6.27
Rot. Bonds8

About cyclohexyl-[4-[[3-[1-[(6-methoxypyridazin-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]methanone

cyclohexyl-[4-[[3-[1-[(6-methoxypyridazin-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]methanone (PubChem CID 168822839) has the molecular formula C30H29F3N8O2 and a molecular weight of 590.61 g/mol. Its IUPAC name is cyclohexyl-[4-[[3-[1-[(6-methoxypyridazin-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-[[3-[1-[(6-methoxypyridazin-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]methanone
PubChem CID168822839
Molecular FormulaC30H29F3N8O2
Molecular Weight590.61 g/mol
Exact Mass590.24
IUPAC Namecyclohexyl-[4-[[3-[1-[(6-methoxypyridazin-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]methanone
SMILESCOc1ccc(Cn2cc(-c3cnc4c(Nc5ccc(C(=O)C6CCCCC6)c(C)c5)nccn34)c(C(F)(F)F)n2)nn1
InChIInChI=1S/C30H29F3N8O2/c1-18-14-20(8-10-22(18)26(42)19-6-4-3-5-7-19)36-28-29-35-15-24(41(29)13-12-34-28)23-17-40(39-27(23)30(31,32)33)16-21-9-11-25(43-2)38-37-21/h8-15,17,19H,3-7,16H2,1-2H3,(H,34,36)
InChIKeySASHFTPPSHOYMG-UHFFFAOYSA-N
XLogP6.27
TPSA112.12 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.61
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze cyclohexyl-[4-[[3-[1-[(6-methoxypyridazin-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[[3-[1-[(6-methoxypyridazin-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]methanone?
The IUPAC name of cyclohexyl-[4-[[3-[1-[(6-methoxypyridazin-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]methanone (CID 168822839) is cyclohexyl-[4-[[3-[1-[(6-methoxypyridazin-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]methanone.
What is the SMILES notation for cyclohexyl-[4-[[3-[1-[(6-methoxypyridazin-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]methanone?
The canonical SMILES for cyclohexyl-[4-[[3-[1-[(6-methoxypyridazin-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]methanone is COc1ccc(Cn2cc(-c3cnc4c(Nc5ccc(C(=O)C6CCCCC6)c(C)c5)nccn34)c(C(F)(F)F)n2)nn1.
What is the InChIKey of cyclohexyl-[4-[[3-[1-[(6-methoxypyridazin-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]methanone?
The InChIKey is SASHFTPPSHOYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F3N8O2/c1-18-14-20(8-10-22(18)26(42)19-6-4-3-5-7-19)36-28-29-35-15-24(41(29)13-12-34-28)23-17-40(39-27(23)30(31,32)33)16-21-9-11-25(43-2)38-37-21/h8-15,17,19H,3-7,16H2,1-2H3,(H,34,36).
What are the key properties of cyclohexyl-[4-[[3-[1-[(6-methoxypyridazin-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]methanone?
cyclohexyl-[4-[[3-[1-[(6-methoxypyridazin-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]methanone has a molecular weight of 590.61 g/mol, XLogP of 6.27, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-[[3-[1-[(6-methoxypyridazin-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]methanone is sourced from PubChem (CID 168822839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).