5-chloro-2,3-difluoro-4-iodopyridine;5-chloro-3-fluoro-4-iodo-N-(2-methylpyrazol-3-yl)pyridin-2-amine;(3R)-7-[5-chloro-3-fluoro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;dichloropalladium;methane;2-methylpyrazol-3-amine;bis(triphenylphosphane)

C84H86Cl5F5I2N14O3P2Pd — CID 159654793

About 5-chloro-2,3-difluoro-4-iodopyridine;5-chloro-3-fluoro-4-iodo-N-(2-methylpyrazol-3-yl)pyridin-2-amine;(3R)-7-[5-chloro-3-fluoro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;dichloropalladium;methane;2-methylpyrazol-3-amine;bis(triphenylphosphane)

5-chloro-2,3-difluoro-4-iodopyridine;5-chloro-3-fluoro-4-iodo-N-(2-methylpyrazol-3-yl)pyridin-2-amine;(3R)-7-[5-chloro-3-fluoro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;dichloropalladium;methane;2-methylpyrazol-3-amine;bis(triphenylphosphane) (PubChem CID 159654793) has the molecular formula C84H86Cl5F5I2N14O3P2Pd and a molecular weight of 2034.14 g/mol. Its IUPAC name is 5-chloro-2,3-difluoro-4-iodopyridine;5-chloro-3-fluoro-4-iodo-N-(2-methylpyrazol-3-yl)pyridin-2-amine;(3R)-7-[5-chloro-3-fluoro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;dichloropalladium;methane;2-methylpyrazol-3-amine;bis(triphenylphosphane).

Molecular Properties

• Compound Name: 5-chloro-2,3-difluoro-4-iodopyridine;5-chloro-3-fluoro-4-iodo-N-(2-methylpyrazol-3-yl)pyridin-2-amine;(3R)-7-[5-chloro-3-fluoro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;dichloropalladium;methane;2-methylpyrazol-3-amine;bis(triphenylphosphane)
• PubChem CID: 159654793
• Molecular Formula: C84H86Cl5F5I2N14O3P2Pd
• Molecular Weight: 2034.14 g/mol
• Exact Mass: 2030.20
• IUPAC Name: 5-chloro-2,3-difluoro-4-iodopyridine;5-chloro-3-fluoro-4-iodo-N-(2-methylpyrazol-3-yl)pyridin-2-amine;(3R)-7-[5-chloro-3-fluoro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;dichloropalladium;methane;2-methylpyrazol-3-amine;bis(triphenylphosphane)
• SMILES: C.C.C.C.COC[C@H]1Cn2cc(-c3c(Cl)cnc(Nc4ccnn4C)c3F)cc2C(=O)N1Cc1cc(F)ccc1CO.Cl[Pd]Cl.Cn1nccc1N.Cn1nccc1Nc1ncc(Cl)c(I)c1F.Fc1ncc(Cl)c(I)c1F.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C26H25ClF2N6O3.2C18H15P.C9H7ClFIN4.C5HClF2IN.C4H7N3.4CH4.2ClH.Pd/c1-33-22(5-6-31-33)32-25-24(29)23(20(27)9-30-25)17-8-21-26(37)35(19(14-38-2)12-34(21)10-17)11-16-7-18(28)4-3-15(16)13-36;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-16-6(2-3-14-16)15-9-7(11)8(12)5(10)4-13-9;6-2-1-10-5(8)3(7)4(2)9;1-7-4(5)2-3-6-7;;;;;;;/h3-10,19,36H,11-14H2,1-2H3,(H,30,32);2*1-15H;2-4H,1H3,(H,13,15);1H;2-3H,5H2,1H3;4*1H4;2*1H;/q;;;;;;;;;;;;+2/p-2/t19-;;;;;;;;;;;;/m1............/s1
• InChIKey: MSANRCRAJGICDN-LGFKXHNUSA-L
• XLogP: 20.51
• TPSA: 196.91 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2034.14
LogP ≤ 5	20.51
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,3-difluoro-4-iodopyridine;5-chloro-3-fluoro-4-iodo-N-(2-methylpyrazol-3-yl)pyridin-2-amine;(3R)-7-[5-chloro-3-fluoro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;dichloropalladium;methane;2-methylpyrazol-3-amine;bis(triphenylphosphane)?

The IUPAC name of 5-chloro-2,3-difluoro-4-iodopyridine;5-chloro-3-fluoro-4-iodo-N-(2-methylpyrazol-3-yl)pyridin-2-amine;(3R)-7-[5-chloro-3-fluoro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;dichloropalladium;methane;2-methylpyrazol-3-amine;bis(triphenylphosphane) (CID 159654793) is 5-chloro-2,3-difluoro-4-iodopyridine;5-chloro-3-fluoro-4-iodo-N-(2-methylpyrazol-3-yl)pyridin-2-amine;(3R)-7-[5-chloro-3-fluoro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;dichloropalladium;methane;2-methylpyrazol-3-amine;bis(triphenylphosphane).

What is the SMILES notation for 5-chloro-2,3-difluoro-4-iodopyridine;5-chloro-3-fluoro-4-iodo-N-(2-methylpyrazol-3-yl)pyridin-2-amine;(3R)-7-[5-chloro-3-fluoro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;dichloropalladium;methane;2-methylpyrazol-3-amine;bis(triphenylphosphane)?

The canonical SMILES for 5-chloro-2,3-difluoro-4-iodopyridine;5-chloro-3-fluoro-4-iodo-N-(2-methylpyrazol-3-yl)pyridin-2-amine;(3R)-7-[5-chloro-3-fluoro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;dichloropalladium;methane;2-methylpyrazol-3-amine;bis(triphenylphosphane) is C.C.C.C.COC[C@H]1Cn2cc(-c3c(Cl)cnc(Nc4ccnn4C)c3F)cc2C(=O)N1Cc1cc(F)ccc1CO.Cl[Pd]Cl.Cn1nccc1N.Cn1nccc1Nc1ncc(Cl)c(I)c1F.Fc1ncc(Cl)c(I)c1F.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 5-chloro-2,3-difluoro-4-iodopyridine;5-chloro-3-fluoro-4-iodo-N-(2-methylpyrazol-3-yl)pyridin-2-amine;(3R)-7-[5-chloro-3-fluoro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;dichloropalladium;methane;2-methylpyrazol-3-amine;bis(triphenylphosphane)?

The InChIKey is MSANRCRAJGICDN-LGFKXHNUSA-L. The full InChI is InChI=1S/C26H25ClF2N6O3.2C18H15P.C9H7ClFIN4.C5HClF2IN.C4H7N3.4CH4.2ClH.Pd/c1-33-22(5-6-31-33)32-25-24(29)23(20(27)9-30-25)17-8-21-26(37)35(19(14-38-2)12-34(21)10-17)11-16-7-18(28)4-3-15(16)13-36;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-16-6(2-3-14-16)15-9-7(11)8(12)5(10)4-13-9;6-2-1-10-5(8)3(7)4(2)9;1-7-4(5)2-3-6-7;;;;;;;/h3-10,19,36H,11-14H2,1-2H3,(H,30,32);2*1-15H;2-4H,1H3,(H,13,15);1H;2-3H,5H2,1H3;4*1H4;2*1H;/q;;;;;;;;;;;;+2/p-2/t19-;;;;;;;;;;;;/m1............/s1.

What are the key properties of 5-chloro-2,3-difluoro-4-iodopyridine;5-chloro-3-fluoro-4-iodo-N-(2-methylpyrazol-3-yl)pyridin-2-amine;(3R)-7-[5-chloro-3-fluoro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;dichloropalladium;methane;2-methylpyrazol-3-amine;bis(triphenylphosphane)?

5-chloro-2,3-difluoro-4-iodopyridine;5-chloro-3-fluoro-4-iodo-N-(2-methylpyrazol-3-yl)pyridin-2-amine;(3R)-7-[5-chloro-3-fluoro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;dichloropalladium;methane;2-methylpyrazol-3-amine;bis(triphenylphosphane) has a molecular weight of 2034.14 g/mol, XLogP of 20.51, 16 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2,3-difluoro-4-iodopyridine;5-chloro-3-fluoro-4-iodo-N-(2-methylpyrazol-3-yl)pyridin-2-amine;(3R)-7-[5-chloro-3-fluoro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;dichloropalladium;methane;2-methylpyrazol-3-amine;bis(triphenylphosphane) is sourced from PubChem (CID 159654793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).