1-butan-2-yl-5-chloro-N-[(R)-cyclopropyl(quinolin-3-yl)methyl]pyrazolo[4,5-d]pyrimidin-7-amine;1-butan-2-yl-N-[(R)-cyclopropyl(quinolin-3-yl)methyl]-5-pyridazin-3-ylpyrazolo[4,5-d]pyrimidin-7-amine;diiodovanadium;3-methylpyridazine

C53H55ClI2N16V — CID 157292292

About 1-butan-2-yl-5-chloro-N-[(R)-cyclopropyl(quinolin-3-yl)methyl]pyrazolo[4,5-d]pyrimidin-7-amine;1-butan-2-yl-N-[(R)-cyclopropyl(quinolin-3-yl)methyl]-5-pyridazin-3-ylpyrazolo[4,5-d]pyrimidin-7-amine;diiodovanadium;3-methylpyridazine

1-butan-2-yl-5-chloro-N-[(R)-cyclopropyl(quinolin-3-yl)methyl]pyrazolo[4,5-d]pyrimidin-7-amine;1-butan-2-yl-N-[(R)-cyclopropyl(quinolin-3-yl)methyl]-5-pyridazin-3-ylpyrazolo[4,5-d]pyrimidin-7-amine;diiodovanadium;3-methylpyridazine (PubChem CID 157292292) has the molecular formula C53H55ClI2N16V and a molecular weight of 1256.34 g/mol. Its IUPAC name is 1-butan-2-yl-5-chloro-N-[(R)-cyclopropyl(quinolin-3-yl)methyl]pyrazolo[4,5-d]pyrimidin-7-amine;1-butan-2-yl-N-[(R)-cyclopropyl(quinolin-3-yl)methyl]-5-pyridazin-3-ylpyrazolo[4,5-d]pyrimidin-7-amine;diiodovanadium;3-methylpyridazine.

Molecular Properties

• Compound Name: 1-butan-2-yl-5-chloro-N-[(R)-cyclopropyl(quinolin-3-yl)methyl]pyrazolo[4,5-d]pyrimidin-7-amine;1-butan-2-yl-N-[(R)-cyclopropyl(quinolin-3-yl)methyl]-5-pyridazin-3-ylpyrazolo[4,5-d]pyrimidin-7-amine;diiodovanadium;3-methylpyridazine
• PubChem CID: 157292292
• Molecular Formula: C53H55ClI2N16V
• Molecular Weight: 1256.34 g/mol
• Exact Mass: 1255.20
• IUPAC Name: 1-butan-2-yl-5-chloro-N-[(R)-cyclopropyl(quinolin-3-yl)methyl]pyrazolo[4,5-d]pyrimidin-7-amine;1-butan-2-yl-N-[(R)-cyclopropyl(quinolin-3-yl)methyl]-5-pyridazin-3-ylpyrazolo[4,5-d]pyrimidin-7-amine;diiodovanadium;3-methylpyridazine
• SMILES: CCC(C)n1ncc2nc(-c3cccnn3)nc(N[C@@H](c3cnc4ccccc4c3)C3CC3)c21.CCC(C)n1ncc2nc(Cl)nc(N[C@@H](c3cnc4ccccc4c3)C3CC3)c21.Cc1cccnn1.I[V]I
• InChI: InChI=1S/C26H26N8.C22H23ClN6.C5H6N2.2HI.V/c1-3-16(2)34-24-22(15-29-34)30-25(21-9-6-12-28-33-21)32-26(24)31-23(17-10-11-17)19-13-18-7-4-5-8-20(18)27-14-19;1-3-13(2)29-20-18(12-25-29)26-22(23)28-21(20)27-19(14-8-9-14)16-10-15-6-4-5-7-17(15)24-11-16;1-5-3-2-4-6-7-5;;;/h4-9,12-17,23H,3,10-11H2,1-2H3,(H,30,31,32);4-7,10-14,19H,3,8-9H2,1-2H3,(H,26,27,28);2-4H,1H3;2*1H;/q;;;;;+2/p-2/t16?,23-;13?,19-;;;;/m11..../s1
• InChIKey: BAYFTQDGCIZOEA-ZTXTWNELSA-L
• XLogP: 13.48
• TPSA: 188.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 13
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1256.34
LogP ≤ 5	13.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-5-chloro-N-[(R)-cyclopropyl(quinolin-3-yl)methyl]pyrazolo[4,5-d]pyrimidin-7-amine;1-butan-2-yl-N-[(R)-cyclopropyl(quinolin-3-yl)methyl]-5-pyridazin-3-ylpyrazolo[4,5-d]pyrimidin-7-amine;diiodovanadium;3-methylpyridazine?

The IUPAC name of 1-butan-2-yl-5-chloro-N-[(R)-cyclopropyl(quinolin-3-yl)methyl]pyrazolo[4,5-d]pyrimidin-7-amine;1-butan-2-yl-N-[(R)-cyclopropyl(quinolin-3-yl)methyl]-5-pyridazin-3-ylpyrazolo[4,5-d]pyrimidin-7-amine;diiodovanadium;3-methylpyridazine (CID 157292292) is 1-butan-2-yl-5-chloro-N-[(R)-cyclopropyl(quinolin-3-yl)methyl]pyrazolo[4,5-d]pyrimidin-7-amine;1-butan-2-yl-N-[(R)-cyclopropyl(quinolin-3-yl)methyl]-5-pyridazin-3-ylpyrazolo[4,5-d]pyrimidin-7-amine;diiodovanadium;3-methylpyridazine.

What is the SMILES notation for 1-butan-2-yl-5-chloro-N-[(R)-cyclopropyl(quinolin-3-yl)methyl]pyrazolo[4,5-d]pyrimidin-7-amine;1-butan-2-yl-N-[(R)-cyclopropyl(quinolin-3-yl)methyl]-5-pyridazin-3-ylpyrazolo[4,5-d]pyrimidin-7-amine;diiodovanadium;3-methylpyridazine?

The canonical SMILES for 1-butan-2-yl-5-chloro-N-[(R)-cyclopropyl(quinolin-3-yl)methyl]pyrazolo[4,5-d]pyrimidin-7-amine;1-butan-2-yl-N-[(R)-cyclopropyl(quinolin-3-yl)methyl]-5-pyridazin-3-ylpyrazolo[4,5-d]pyrimidin-7-amine;diiodovanadium;3-methylpyridazine is CCC(C)n1ncc2nc(-c3cccnn3)nc(N[C@@H](c3cnc4ccccc4c3)C3CC3)c21.CCC(C)n1ncc2nc(Cl)nc(N[C@@H](c3cnc4ccccc4c3)C3CC3)c21.Cc1cccnn1.I[V]I.

What is the InChIKey of 1-butan-2-yl-5-chloro-N-[(R)-cyclopropyl(quinolin-3-yl)methyl]pyrazolo[4,5-d]pyrimidin-7-amine;1-butan-2-yl-N-[(R)-cyclopropyl(quinolin-3-yl)methyl]-5-pyridazin-3-ylpyrazolo[4,5-d]pyrimidin-7-amine;diiodovanadium;3-methylpyridazine?

The InChIKey is BAYFTQDGCIZOEA-ZTXTWNELSA-L. The full InChI is InChI=1S/C26H26N8.C22H23ClN6.C5H6N2.2HI.V/c1-3-16(2)34-24-22(15-29-34)30-25(21-9-6-12-28-33-21)32-26(24)31-23(17-10-11-17)19-13-18-7-4-5-8-20(18)27-14-19;1-3-13(2)29-20-18(12-25-29)26-22(23)28-21(20)27-19(14-8-9-14)16-10-15-6-4-5-7-17(15)24-11-16;1-5-3-2-4-6-7-5;;;/h4-9,12-17,23H,3,10-11H2,1-2H3,(H,30,31,32);4-7,10-14,19H,3,8-9H2,1-2H3,(H,26,27,28);2-4H,1H3;2*1H;/q;;;;;+2/p-2/t16?,23-;13?,19-;;;;/m11..../s1.

What are the key properties of 1-butan-2-yl-5-chloro-N-[(R)-cyclopropyl(quinolin-3-yl)methyl]pyrazolo[4,5-d]pyrimidin-7-amine;1-butan-2-yl-N-[(R)-cyclopropyl(quinolin-3-yl)methyl]-5-pyridazin-3-ylpyrazolo[4,5-d]pyrimidin-7-amine;diiodovanadium;3-methylpyridazine?

1-butan-2-yl-5-chloro-N-[(R)-cyclopropyl(quinolin-3-yl)methyl]pyrazolo[4,5-d]pyrimidin-7-amine;1-butan-2-yl-N-[(R)-cyclopropyl(quinolin-3-yl)methyl]-5-pyridazin-3-ylpyrazolo[4,5-d]pyrimidin-7-amine;diiodovanadium;3-methylpyridazine has a molecular weight of 1256.34 g/mol, XLogP of 13.48, 13 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butan-2-yl-5-chloro-N-[(R)-cyclopropyl(quinolin-3-yl)methyl]pyrazolo[4,5-d]pyrimidin-7-amine;1-butan-2-yl-N-[(R)-cyclopropyl(quinolin-3-yl)methyl]-5-pyridazin-3-ylpyrazolo[4,5-d]pyrimidin-7-amine;diiodovanadium;3-methylpyridazine is sourced from PubChem (CID 157292292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).