ethane;[1-[5-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone

C27H33N5O2 — CID 144998737

About ethane;[1-[5-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone

ethane;[1-[5-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone (PubChem CID 144998737) has the molecular formula C27H33N5O2 and a molecular weight of 459.59 g/mol. Its IUPAC name is ethane;[1-[5-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

• Compound Name: ethane;[1-[5-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
• PubChem CID: 144998737
• Molecular Formula: C27H33N5O2
• Molecular Weight: 459.59 g/mol
• Exact Mass: 459.26
• IUPAC Name: ethane;[1-[5-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
• SMILES: C=C/C(=N\C=C/C)c1cnc(N2CC3(CC3)c3ccc(C(=O)N4CCOCC4)cc32)nc1.CC
• InChI: InChI=1S/C25H27N5O2.C2H6/c1-3-9-26-21(4-2)19-15-27-24(28-16-19)30-17-25(7-8-25)20-6-5-18(14-22(20)30)23(31)29-10-12-32-13-11-29;1-2/h3-6,9,14-16H,2,7-8,10-13,17H2,1H3;1-2H3/b9-3-,26-21+
• InChIKey: GBNJMRFICQCOQV-JBASXCFASA-N
• XLogP: 4.67
• TPSA: 70.92 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.59
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;[1-[5-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone?

The IUPAC name of ethane;[1-[5-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone (CID 144998737) is ethane;[1-[5-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone.

What is the SMILES notation for ethane;[1-[5-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone?

The canonical SMILES for ethane;[1-[5-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone is C=C/C(=N\C=C/C)c1cnc(N2CC3(CC3)c3ccc(C(=O)N4CCOCC4)cc32)nc1.CC.

What is the InChIKey of ethane;[1-[5-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone?

The InChIKey is GBNJMRFICQCOQV-JBASXCFASA-N. The full InChI is InChI=1S/C25H27N5O2.C2H6/c1-3-9-26-21(4-2)19-15-27-24(28-16-19)30-17-25(7-8-25)20-6-5-18(14-22(20)30)23(31)29-10-12-32-13-11-29;1-2/h3-6,9,14-16H,2,7-8,10-13,17H2,1H3;1-2H3/b9-3-,26-21+;.

What are the key properties of ethane;[1-[5-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone?

ethane;[1-[5-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone has a molecular weight of 459.59 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;[1-[5-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 144998737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).