1-oxo-N-[4-(prop-2-enoylamino)-3-pyridinyl]-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide;1-oxo-N-(4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazin-6-yl)spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxamide

C46H41N9O7 — CID 144715122

About 1-oxo-N-[4-(prop-2-enoylamino)-3-pyridinyl]-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide;1-oxo-N-(4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazin-6-yl)spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxamide

1-oxo-N-[4-(prop-2-enoylamino)-3-pyridinyl]-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide;1-oxo-N-(4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazin-6-yl)spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxamide (PubChem CID 144715122) has the molecular formula C46H41N9O7 and a molecular weight of 831.89 g/mol. Its IUPAC name is 1-oxo-N-[4-(prop-2-enoylamino)-3-pyridinyl]-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide;1-oxo-N-(4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazin-6-yl)spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxamide.

Molecular Properties

• Compound Name: 1-oxo-N-[4-(prop-2-enoylamino)-3-pyridinyl]-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide;1-oxo-N-(4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazin-6-yl)spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxamide
• PubChem CID: 144715122
• Molecular Formula: C46H41N9O7
• Molecular Weight: 831.89 g/mol
• Exact Mass: 831.31
• IUPAC Name: 1-oxo-N-[4-(prop-2-enoylamino)-3-pyridinyl]-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide;1-oxo-N-(4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazin-6-yl)spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxamide
• SMILES: C=CC(=O)N1CCOc2ccc(NC(=O)c3ccc4cc5n(c4c3)C3(CCC3)CNC5=O)cc21.C=CC(=O)Nc1ccncc1NC(=O)c1ccc2cc3n(c2c1)CCNC3=O
• InChI: InChI=1S/C26H24N4O4.C20H17N5O3/c1-2-23(31)29-10-11-34-22-7-6-18(14-20(22)29)28-24(32)17-5-4-16-12-21-25(33)27-15-26(8-3-9-26)30(21)19(16)13-17;1-2-18(26)23-14-5-6-21-11-15(14)24-19(27)13-4-3-12-9-17-20(28)22-7-8-25(17)16(12)10-13/h2,4-7,12-14H,1,3,8-11,15H2,(H,27,33)(H,28,32);2-6,9-11H,1,7-8H2,(H,22,28)(H,24,27)(H,21,23,26)
• InChIKey: BJAGULIZXJZYCK-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 197.79 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	831.89
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-oxo-N-[4-(prop-2-enoylamino)-3-pyridinyl]-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide;1-oxo-N-(4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazin-6-yl)spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxamide?

The IUPAC name of 1-oxo-N-[4-(prop-2-enoylamino)-3-pyridinyl]-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide;1-oxo-N-(4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazin-6-yl)spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxamide (CID 144715122) is 1-oxo-N-[4-(prop-2-enoylamino)-3-pyridinyl]-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide;1-oxo-N-(4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazin-6-yl)spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxamide.

What is the SMILES notation for 1-oxo-N-[4-(prop-2-enoylamino)-3-pyridinyl]-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide;1-oxo-N-(4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazin-6-yl)spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxamide?

The canonical SMILES for 1-oxo-N-[4-(prop-2-enoylamino)-3-pyridinyl]-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide;1-oxo-N-(4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazin-6-yl)spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxamide is C=CC(=O)N1CCOc2ccc(NC(=O)c3ccc4cc5n(c4c3)C3(CCC3)CNC5=O)cc21.C=CC(=O)Nc1ccncc1NC(=O)c1ccc2cc3n(c2c1)CCNC3=O.

What is the InChIKey of 1-oxo-N-[4-(prop-2-enoylamino)-3-pyridinyl]-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide;1-oxo-N-(4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazin-6-yl)spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxamide?

The InChIKey is BJAGULIZXJZYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4.C20H17N5O3/c1-2-23(31)29-10-11-34-22-7-6-18(14-20(22)29)28-24(32)17-5-4-16-12-21-25(33)27-15-26(8-3-9-26)30(21)19(16)13-17;1-2-18(26)23-14-5-6-21-11-15(14)24-19(27)13-4-3-12-9-17-20(28)22-7-8-25(17)16(12)10-13/h2,4-7,12-14H,1,3,8-11,15H2,(H,27,33)(H,28,32);2-6,9-11H,1,7-8H2,(H,22,28)(H,24,27)(H,21,23,26).

What are the key properties of 1-oxo-N-[4-(prop-2-enoylamino)-3-pyridinyl]-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide;1-oxo-N-(4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazin-6-yl)spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxamide?

1-oxo-N-[4-(prop-2-enoylamino)-3-pyridinyl]-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide;1-oxo-N-(4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazin-6-yl)spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxamide has a molecular weight of 831.89 g/mol, XLogP of 5.58, 7 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-oxo-N-[4-(prop-2-enoylamino)-3-pyridinyl]-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide;1-oxo-N-(4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazin-6-yl)spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxamide is sourced from PubChem (CID 144715122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).