N-[1-cyclohexyl-2-[[4-[3-[(9E)-8-methylidene-9-prop-2-enylidene-1,3,4,6,7,9a-hexahydropyrido[1,2-a]pyrazin-2-yl]-3-oxo-2-(propanoylamino)propyl]phenyl]methylamino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide

C38H51N7O4 — CID 154677487

About N-[1-cyclohexyl-2-[[4-[3-[(9E)-8-methylidene-9-prop-2-enylidene-1,3,4,6,7,9a-hexahydropyrido[1,2-a]pyrazin-2-yl]-3-oxo-2-(propanoylamino)propyl]phenyl]methylamino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide

N-[1-cyclohexyl-2-[[4-[3-[(9E)-8-methylidene-9-prop-2-enylidene-1,3,4,6,7,9a-hexahydropyrido[1,2-a]pyrazin-2-yl]-3-oxo-2-(propanoylamino)propyl]phenyl]methylamino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide (PubChem CID 154677487) has the molecular formula C38H51N7O4 and a molecular weight of 669.87 g/mol. Its IUPAC name is N-[1-cyclohexyl-2-[[4-[3-[(9E)-8-methylidene-9-prop-2-enylidene-1,3,4,6,7,9a-hexahydropyrido[1,2-a]pyrazin-2-yl]-3-oxo-2-(propanoylamino)propyl]phenyl]methylamino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-cyclohexyl-2-[[4-[3-[(9E)-8-methylidene-9-prop-2-enylidene-1,3,4,6,7,9a-hexahydropyrido[1,2-a]pyrazin-2-yl]-3-oxo-2-(propanoylamino)propyl]phenyl]methylamino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
• PubChem CID: 154677487
• Molecular Formula: C38H51N7O4
• Molecular Weight: 669.87 g/mol
• Exact Mass: 669.40
• IUPAC Name: N-[1-cyclohexyl-2-[[4-[3-[(9E)-8-methylidene-9-prop-2-enylidene-1,3,4,6,7,9a-hexahydropyrido[1,2-a]pyrazin-2-yl]-3-oxo-2-(propanoylamino)propyl]phenyl]methylamino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
• SMILES: C=C/C=C1\C(=C)CCN2CCN(C(=O)C(Cc3ccc(CNC(=O)C(NC(=O)c4ccnn4C)C4CCCCC4)cc3)NC(=O)CC)CC12
• InChI: InChI=1S/C38H51N7O4/c1-5-10-30-26(3)18-20-44-21-22-45(25-33(30)44)38(49)31(41-34(46)6-2)23-27-13-15-28(16-14-27)24-39-37(48)35(29-11-8-7-9-12-29)42-36(47)32-17-19-40-43(32)4/h5,10,13-17,19,29,31,33,35H,1,3,6-9,11-12,18,20-25H2,2,4H3,(H,39,48)(H,41,46)(H,42,47)/b30-10+
• InChIKey: HTRGYZATTJMPDH-WXMAUWIXSA-N
• XLogP: 3.44
• TPSA: 128.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	669.87
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-2-[[4-[3-[(9E)-8-methylidene-9-prop-2-enylidene-1,3,4,6,7,9a-hexahydropyrido[1,2-a]pyrazin-2-yl]-3-oxo-2-(propanoylamino)propyl]phenyl]methylamino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?

The IUPAC name of N-[1-cyclohexyl-2-[[4-[3-[(9E)-8-methylidene-9-prop-2-enylidene-1,3,4,6,7,9a-hexahydropyrido[1,2-a]pyrazin-2-yl]-3-oxo-2-(propanoylamino)propyl]phenyl]methylamino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide (CID 154677487) is N-[1-cyclohexyl-2-[[4-[3-[(9E)-8-methylidene-9-prop-2-enylidene-1,3,4,6,7,9a-hexahydropyrido[1,2-a]pyrazin-2-yl]-3-oxo-2-(propanoylamino)propyl]phenyl]methylamino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide.

What is the SMILES notation for N-[1-cyclohexyl-2-[[4-[3-[(9E)-8-methylidene-9-prop-2-enylidene-1,3,4,6,7,9a-hexahydropyrido[1,2-a]pyrazin-2-yl]-3-oxo-2-(propanoylamino)propyl]phenyl]methylamino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?

The canonical SMILES for N-[1-cyclohexyl-2-[[4-[3-[(9E)-8-methylidene-9-prop-2-enylidene-1,3,4,6,7,9a-hexahydropyrido[1,2-a]pyrazin-2-yl]-3-oxo-2-(propanoylamino)propyl]phenyl]methylamino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide is C=C/C=C1\C(=C)CCN2CCN(C(=O)C(Cc3ccc(CNC(=O)C(NC(=O)c4ccnn4C)C4CCCCC4)cc3)NC(=O)CC)CC12.

What is the InChIKey of N-[1-cyclohexyl-2-[[4-[3-[(9E)-8-methylidene-9-prop-2-enylidene-1,3,4,6,7,9a-hexahydropyrido[1,2-a]pyrazin-2-yl]-3-oxo-2-(propanoylamino)propyl]phenyl]methylamino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?

The InChIKey is HTRGYZATTJMPDH-WXMAUWIXSA-N. The full InChI is InChI=1S/C38H51N7O4/c1-5-10-30-26(3)18-20-44-21-22-45(25-33(30)44)38(49)31(41-34(46)6-2)23-27-13-15-28(16-14-27)24-39-37(48)35(29-11-8-7-9-12-29)42-36(47)32-17-19-40-43(32)4/h5,10,13-17,19,29,31,33,35H,1,3,6-9,11-12,18,20-25H2,2,4H3,(H,39,48)(H,41,46)(H,42,47)/b30-10+.

What are the key properties of N-[1-cyclohexyl-2-[[4-[3-[(9E)-8-methylidene-9-prop-2-enylidene-1,3,4,6,7,9a-hexahydropyrido[1,2-a]pyrazin-2-yl]-3-oxo-2-(propanoylamino)propyl]phenyl]methylamino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?

N-[1-cyclohexyl-2-[[4-[3-[(9E)-8-methylidene-9-prop-2-enylidene-1,3,4,6,7,9a-hexahydropyrido[1,2-a]pyrazin-2-yl]-3-oxo-2-(propanoylamino)propyl]phenyl]methylamino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 669.87 g/mol, XLogP of 3.44, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-cyclohexyl-2-[[4-[3-[(9E)-8-methylidene-9-prop-2-enylidene-1,3,4,6,7,9a-hexahydropyrido[1,2-a]pyrazin-2-yl]-3-oxo-2-(propanoylamino)propyl]phenyl]methylamino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 154677487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).