5-bromopyridin-2-amine;tert-butyl 7-(6-amino-3-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate;tert-butyl 4,7-diazaspiro[2.5]octane-4-carboxylate;methane;triiodovanadium;vanadium

C33H53BrI3N8O4V2 — CID 158074936

About 5-bromopyridin-2-amine;tert-butyl 7-(6-amino-3-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate;tert-butyl 4,7-diazaspiro[2.5]octane-4-carboxylate;methane;triiodovanadium;vanadium

5-bromopyridin-2-amine;tert-butyl 7-(6-amino-3-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate;tert-butyl 4,7-diazaspiro[2.5]octane-4-carboxylate;methane;triiodovanadium;vanadium (PubChem CID 158074936) has the molecular formula C33H53BrI3N8O4V2 and a molecular weight of 1188.34 g/mol. Its IUPAC name is 5-bromopyridin-2-amine;tert-butyl 7-(6-amino-3-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate;tert-butyl 4,7-diazaspiro[2.5]octane-4-carboxylate;methane;triiodovanadium;vanadium.

Molecular Properties

• Compound Name: 5-bromopyridin-2-amine;tert-butyl 7-(6-amino-3-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate;tert-butyl 4,7-diazaspiro[2.5]octane-4-carboxylate;methane;triiodovanadium;vanadium
• PubChem CID: 158074936
• Molecular Formula: C33H53BrI3N8O4V2
• Molecular Weight: 1188.34 g/mol
• Exact Mass: 1186.94
• IUPAC Name: 5-bromopyridin-2-amine;tert-butyl 7-(6-amino-3-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate;tert-butyl 4,7-diazaspiro[2.5]octane-4-carboxylate;methane;triiodovanadium;vanadium
• SMILES: C.CC(C)(C)OC(=O)N1CCN(c2ccc(N)nc2)CC12CC2.CC(C)(C)OC(=O)N1CCNCC12CC2.I[V](I)I.Nc1ccc(Br)cn1.[V]
• InChI: InChI=1S/C16H24N4O2.C11H20N2O2.C5H5BrN2.CH4.3HI.2V/c1-15(2,3)22-14(21)20-9-8-19(11-16(20)6-7-16)12-4-5-13(17)18-10-12;1-10(2,3)15-9(14)13-7-6-12-8-11(13)4-5-11;6-4-1-2-5(7)8-3-4;;;;;;/h4-5,10H,6-9,11H2,1-3H3,(H2,17,18);12H,4-8H2,1-3H3;1-3H,(H2,7,8);1H4;3*1H;;/q;;;;;;;;+3/p-3
• InChIKey: FMGGYMXAMWCELH-UHFFFAOYSA-K
• XLogP: 8.33
• TPSA: 152.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 1
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1188.34
LogP ≤ 5	8.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromopyridin-2-amine;tert-butyl 7-(6-amino-3-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate;tert-butyl 4,7-diazaspiro[2.5]octane-4-carboxylate;methane;triiodovanadium;vanadium?

The IUPAC name of 5-bromopyridin-2-amine;tert-butyl 7-(6-amino-3-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate;tert-butyl 4,7-diazaspiro[2.5]octane-4-carboxylate;methane;triiodovanadium;vanadium (CID 158074936) is 5-bromopyridin-2-amine;tert-butyl 7-(6-amino-3-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate;tert-butyl 4,7-diazaspiro[2.5]octane-4-carboxylate;methane;triiodovanadium;vanadium.

What is the SMILES notation for 5-bromopyridin-2-amine;tert-butyl 7-(6-amino-3-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate;tert-butyl 4,7-diazaspiro[2.5]octane-4-carboxylate;methane;triiodovanadium;vanadium?

The canonical SMILES for 5-bromopyridin-2-amine;tert-butyl 7-(6-amino-3-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate;tert-butyl 4,7-diazaspiro[2.5]octane-4-carboxylate;methane;triiodovanadium;vanadium is C.CC(C)(C)OC(=O)N1CCN(c2ccc(N)nc2)CC12CC2.CC(C)(C)OC(=O)N1CCNCC12CC2.I[V](I)I.Nc1ccc(Br)cn1.[V].

What is the InChIKey of 5-bromopyridin-2-amine;tert-butyl 7-(6-amino-3-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate;tert-butyl 4,7-diazaspiro[2.5]octane-4-carboxylate;methane;triiodovanadium;vanadium?

The InChIKey is FMGGYMXAMWCELH-UHFFFAOYSA-K. The full InChI is InChI=1S/C16H24N4O2.C11H20N2O2.C5H5BrN2.CH4.3HI.2V/c1-15(2,3)22-14(21)20-9-8-19(11-16(20)6-7-16)12-4-5-13(17)18-10-12;1-10(2,3)15-9(14)13-7-6-12-8-11(13)4-5-11;6-4-1-2-5(7)8-3-4;;;;;;/h4-5,10H,6-9,11H2,1-3H3,(H2,17,18);12H,4-8H2,1-3H3;1-3H,(H2,7,8);1H4;3*1H;;/q;;;;;;;;+3/p-3.

What are the key properties of 5-bromopyridin-2-amine;tert-butyl 7-(6-amino-3-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate;tert-butyl 4,7-diazaspiro[2.5]octane-4-carboxylate;methane;triiodovanadium;vanadium?

5-bromopyridin-2-amine;tert-butyl 7-(6-amino-3-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate;tert-butyl 4,7-diazaspiro[2.5]octane-4-carboxylate;methane;triiodovanadium;vanadium has a molecular weight of 1188.34 g/mol, XLogP of 8.33, 1 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromopyridin-2-amine;tert-butyl 7-(6-amino-3-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate;tert-butyl 4,7-diazaspiro[2.5]octane-4-carboxylate;methane;triiodovanadium;vanadium is sourced from PubChem (CID 158074936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).