methyl 6-[3,3-dimethyl-4-[5-[(1-morpholin-4-ylcyclohexyl)methylamino]-6-propan-2-ylpyrazine-2-carbonyl]piperazin-1-yl]-2,4-dimethylpyridine-3-carboxylate

C34H51N7O4 — CID 177323045

IUPACmethyl 6-[3,3-dimethyl-4-[5-[(1-morpholin-4-ylcyclohexyl)methylamino]-6-propan-2-ylpyrazine-2-carbonyl]piperazin-1-yl]-2,4-dimethylpyridine-3-carboxylate
SMILESCOC(=O)c1c(C)cc(N2CCN(C(=O)c3cnc(NCC4(N5CCOCC5)CCCCC4)c(C(C)C)n3)C(C)(C)C2)nc1C
InChIInChI=1S/C34H51N7O4/c1-23(2)29-30(36-21-34(11-9-8-10-12-34)40-15-17-45-18-16-40)35-20-26(38-29)31(42)41-14-13-39(22-33(41,5)6)27-19-24(3)28(25(4)37-27)32(43)44-7/h19-20,23H,8-18,21-22H2,1-7H3,(H,35,36)
InChIKeyQOKQKCUHMNSORK-UHFFFAOYSA-N
MW621.83 g/mol
LogP4.59
Rot. Bonds8

About methyl 6-[3,3-dimethyl-4-[5-[(1-morpholin-4-ylcyclohexyl)methylamino]-6-propan-2-ylpyrazine-2-carbonyl]piperazin-1-yl]-2,4-dimethylpyridine-3-carboxylate

methyl 6-[3,3-dimethyl-4-[5-[(1-morpholin-4-ylcyclohexyl)methylamino]-6-propan-2-ylpyrazine-2-carbonyl]piperazin-1-yl]-2,4-dimethylpyridine-3-carboxylate (PubChem CID 177323045) has the molecular formula C34H51N7O4 and a molecular weight of 621.83 g/mol. Its IUPAC name is methyl 6-[3,3-dimethyl-4-[5-[(1-morpholin-4-ylcyclohexyl)methylamino]-6-propan-2-ylpyrazine-2-carbonyl]piperazin-1-yl]-2,4-dimethylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[3,3-dimethyl-4-[5-[(1-morpholin-4-ylcyclohexyl)methylamino]-6-propan-2-ylpyrazine-2-carbonyl]piperazin-1-yl]-2,4-dimethylpyridine-3-carboxylate
PubChem CID177323045
Molecular FormulaC34H51N7O4
Molecular Weight621.83 g/mol
Exact Mass621.40
IUPAC Namemethyl 6-[3,3-dimethyl-4-[5-[(1-morpholin-4-ylcyclohexyl)methylamino]-6-propan-2-ylpyrazine-2-carbonyl]piperazin-1-yl]-2,4-dimethylpyridine-3-carboxylate
SMILESCOC(=O)c1c(C)cc(N2CCN(C(=O)c3cnc(NCC4(N5CCOCC5)CCCCC4)c(C(C)C)n3)C(C)(C)C2)nc1C
InChIInChI=1S/C34H51N7O4/c1-23(2)29-30(36-21-34(11-9-8-10-12-34)40-15-17-45-18-16-40)35-20-26(38-29)31(42)41-14-13-39(22-33(41,5)6)27-19-24(3)28(25(4)37-27)32(43)44-7/h19-20,23H,8-18,21-22H2,1-7H3,(H,35,36)
InChIKeyQOKQKCUHMNSORK-UHFFFAOYSA-N
XLogP4.59
TPSA113.02 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500621.83
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze methyl 6-[3,3-dimethyl-4-[5-[(1-morpholin-4-ylcyclohexyl)methylamino]-6-propan-2-ylpyrazine-2-carbonyl]piperazin-1-yl]-2,4-dimethylpyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[3,3-dimethyl-4-[5-[(1-morpholin-4-ylcyclohexyl)methylamino]-6-propan-2-ylpyrazine-2-carbonyl]piperazin-1-yl]-2,4-dimethylpyridine-3-carboxylate?
The IUPAC name of methyl 6-[3,3-dimethyl-4-[5-[(1-morpholin-4-ylcyclohexyl)methylamino]-6-propan-2-ylpyrazine-2-carbonyl]piperazin-1-yl]-2,4-dimethylpyridine-3-carboxylate (CID 177323045) is methyl 6-[3,3-dimethyl-4-[5-[(1-morpholin-4-ylcyclohexyl)methylamino]-6-propan-2-ylpyrazine-2-carbonyl]piperazin-1-yl]-2,4-dimethylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[3,3-dimethyl-4-[5-[(1-morpholin-4-ylcyclohexyl)methylamino]-6-propan-2-ylpyrazine-2-carbonyl]piperazin-1-yl]-2,4-dimethylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-[3,3-dimethyl-4-[5-[(1-morpholin-4-ylcyclohexyl)methylamino]-6-propan-2-ylpyrazine-2-carbonyl]piperazin-1-yl]-2,4-dimethylpyridine-3-carboxylate is COC(=O)c1c(C)cc(N2CCN(C(=O)c3cnc(NCC4(N5CCOCC5)CCCCC4)c(C(C)C)n3)C(C)(C)C2)nc1C.
What is the InChIKey of methyl 6-[3,3-dimethyl-4-[5-[(1-morpholin-4-ylcyclohexyl)methylamino]-6-propan-2-ylpyrazine-2-carbonyl]piperazin-1-yl]-2,4-dimethylpyridine-3-carboxylate?
The InChIKey is QOKQKCUHMNSORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H51N7O4/c1-23(2)29-30(36-21-34(11-9-8-10-12-34)40-15-17-45-18-16-40)35-20-26(38-29)31(42)41-14-13-39(22-33(41,5)6)27-19-24(3)28(25(4)37-27)32(43)44-7/h19-20,23H,8-18,21-22H2,1-7H3,(H,35,36).
What are the key properties of methyl 6-[3,3-dimethyl-4-[5-[(1-morpholin-4-ylcyclohexyl)methylamino]-6-propan-2-ylpyrazine-2-carbonyl]piperazin-1-yl]-2,4-dimethylpyridine-3-carboxylate?
methyl 6-[3,3-dimethyl-4-[5-[(1-morpholin-4-ylcyclohexyl)methylamino]-6-propan-2-ylpyrazine-2-carbonyl]piperazin-1-yl]-2,4-dimethylpyridine-3-carboxylate has a molecular weight of 621.83 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[3,3-dimethyl-4-[5-[(1-morpholin-4-ylcyclohexyl)methylamino]-6-propan-2-ylpyrazine-2-carbonyl]piperazin-1-yl]-2,4-dimethylpyridine-3-carboxylate is sourced from PubChem (CID 177323045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).