cyclohexylimino-[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-λ6-sulfane;cyclohexylimino-[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-λ6-sulfane;cyclohexylimino-[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-methylimino-oxo-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-[(1R)-1-phenylethyl]imino-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-[(1R)-1-phenylethyl]imino-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-(1-phenylethylimino)-λ6-sulfane

C148H168N56O7S7 — CID 157077473

About cyclohexylimino-[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-λ6-sulfane;cyclohexylimino-[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-λ6-sulfane;cyclohexylimino-[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-methylimino-oxo-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-[(1R)-1-phenylethyl]imino-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-[(1R)-1-phenylethyl]imino-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-(1-phenylethylimino)-λ6-sulfane

cyclohexylimino-[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-λ6-sulfane;cyclohexylimino-[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-λ6-sulfane;cyclohexylimino-[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-methylimino-oxo-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-[(1R)-1-phenylethyl]imino-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-[(1R)-1-phenylethyl]imino-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-(1-phenylethylimino)-λ6-sulfane (PubChem CID 157077473) has the molecular formula C148H168N56O7S7 and a molecular weight of 3067.83 g/mol. Its IUPAC name is cyclohexylimino-[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-λ6-sulfane;cyclohexylimino-[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-λ6-sulfane;cyclohexylimino-[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-methylimino-oxo-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-[(1R)-1-phenylethyl]imino-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-[(1R)-1-phenylethyl]imino-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-(1-phenylethylimino)-λ6-sulfane.

Molecular Properties

• Compound Name: cyclohexylimino-[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-λ6-sulfane;cyclohexylimino-[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-λ6-sulfane;cyclohexylimino-[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-methylimino-oxo-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-[(1R)-1-phenylethyl]imino-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-[(1R)-1-phenylethyl]imino-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-(1-phenylethylimino)-λ6-sulfane
• PubChem CID: 157077473
• Molecular Formula: C148H168N56O7S7
• Molecular Weight: 3067.83 g/mol
• Exact Mass: 3065.26
• IUPAC Name: cyclohexylimino-[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-λ6-sulfane;cyclohexylimino-[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-λ6-sulfane;cyclohexylimino-[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-methylimino-oxo-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-[(1R)-1-phenylethyl]imino-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-[(1R)-1-phenylethyl]imino-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-(1-phenylethylimino)-λ6-sulfane
• SMILES: [C-]#[N+]CC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN(S(C)(=O)=NC(C)c2ccccc2)C1.[C-]#[N+]CC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN(S(C)(=O)=NC2CCCCC2)C1.[C-]#[N+]CC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN([S@@](C)(=O)=NC2CCCCC2)C1.[C-]#[N+]CC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN([S@@](C)(=O)=N[C@H](C)c2ccccc2)C1.[C-]#[N+]CC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN([S@](C)(=O)=NC)C1.[C-]#[N+]CC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN([S@](C)(=O)=NC2CCCCC2)C1.[C-]#[N+]CC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN([S@](C)(=O)=N[C@H](C)c2ccccc2)C1
• InChI: InChI=1S/3C23H24N8OS.3C21H26N8OS.C16H18N8OS/c3*1-17(18-7-5-4-6-8-18)29-33(3,32)30-14-23(15-30,13-24-2)31-12-19(11-28-31)21-20-9-10-25-22(20)27-16-26-21;3*1-22-12-21(13-28(14-21)31(2,30)27-17-6-4-3-5-7-17)29-11-16(10-26-29)19-18-8-9-23-20(18)25-15-24-19;1-17-8-16(9-23(10-16)26(3,25)18-2)24-7-12(6-22-24)14-13-4-5-19-15(13)21-11-20-14/h3*4-12,16-17H,13-15H2,1,3H3,(H,25,26,27);3*8-11,15,17H,3-7,12-14H2,2H3,(H,23,24,25);4-7,11H,8-10H2,2-3H3,(H,19,20,21)/t17-,33+;17-,33-;;2*31-;;26-/m11.10.1/s1
• InChIKey: ADDHPVJJQXTDNV-MLHBDTDASA-N
• XLogP: 21.26
• TPSA: 674.94 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 42
• Rotatable Bonds: 37
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3067.83
LogP ≤ 5	21.26
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cyclohexylimino-[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-λ6-sulfane;cyclohexylimino-[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-λ6-sulfane;cyclohexylimino-[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-methylimino-oxo-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-[(1R)-1-phenylethyl]imino-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-[(1R)-1-phenylethyl]imino-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-(1-phenylethylimino)-λ6-sulfane?

The IUPAC name of cyclohexylimino-[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-λ6-sulfane;cyclohexylimino-[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-λ6-sulfane;cyclohexylimino-[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-methylimino-oxo-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-[(1R)-1-phenylethyl]imino-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-[(1R)-1-phenylethyl]imino-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-(1-phenylethylimino)-λ6-sulfane (CID 157077473) is cyclohexylimino-[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-λ6-sulfane;cyclohexylimino-[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-λ6-sulfane;cyclohexylimino-[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-methylimino-oxo-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-[(1R)-1-phenylethyl]imino-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-[(1R)-1-phenylethyl]imino-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-(1-phenylethylimino)-λ6-sulfane.

What is the SMILES notation for cyclohexylimino-[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-λ6-sulfane;cyclohexylimino-[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-λ6-sulfane;cyclohexylimino-[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-methylimino-oxo-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-[(1R)-1-phenylethyl]imino-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-[(1R)-1-phenylethyl]imino-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-(1-phenylethylimino)-λ6-sulfane?

The canonical SMILES for cyclohexylimino-[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-λ6-sulfane;cyclohexylimino-[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-λ6-sulfane;cyclohexylimino-[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-methylimino-oxo-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-[(1R)-1-phenylethyl]imino-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-[(1R)-1-phenylethyl]imino-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-(1-phenylethylimino)-λ6-sulfane is [C-]#[N+]CC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN(S(C)(=O)=NC(C)c2ccccc2)C1.[C-]#[N+]CC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN(S(C)(=O)=NC2CCCCC2)C1.[C-]#[N+]CC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN([S@@](C)(=O)=NC2CCCCC2)C1.[C-]#[N+]CC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN([S@@](C)(=O)=N[C@H](C)c2ccccc2)C1.[C-]#[N+]CC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN([S@](C)(=O)=NC)C1.[C-]#[N+]CC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN([S@](C)(=O)=NC2CCCCC2)C1.[C-]#[N+]CC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN([S@](C)(=O)=N[C@H](C)c2ccccc2)C1.

What is the InChIKey of cyclohexylimino-[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-λ6-sulfane;cyclohexylimino-[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-λ6-sulfane;cyclohexylimino-[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-methylimino-oxo-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-[(1R)-1-phenylethyl]imino-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-[(1R)-1-phenylethyl]imino-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-(1-phenylethylimino)-λ6-sulfane?

The InChIKey is ADDHPVJJQXTDNV-MLHBDTDASA-N. The full InChI is InChI=1S/3C23H24N8OS.3C21H26N8OS.C16H18N8OS/c3*1-17(18-7-5-4-6-8-18)29-33(3,32)30-14-23(15-30,13-24-2)31-12-19(11-28-31)21-20-9-10-25-22(20)27-16-26-21;3*1-22-12-21(13-28(14-21)31(2,30)27-17-6-4-3-5-7-17)29-11-16(10-26-29)19-18-8-9-23-20(18)25-15-24-19;1-17-8-16(9-23(10-16)26(3,25)18-2)24-7-12(6-22-24)14-13-4-5-19-15(13)21-11-20-14/h3*4-12,16-17H,13-15H2,1,3H3,(H,25,26,27);3*8-11,15,17H,3-7,12-14H2,2H3,(H,23,24,25);4-7,11H,8-10H2,2-3H3,(H,19,20,21)/t17-,33+;17-,33-;;2*31-;;26-/m11.10.1/s1.

What are the key properties of cyclohexylimino-[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-λ6-sulfane;cyclohexylimino-[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-λ6-sulfane;cyclohexylimino-[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-methylimino-oxo-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-[(1R)-1-phenylethyl]imino-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-[(1R)-1-phenylethyl]imino-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-(1-phenylethylimino)-λ6-sulfane?

cyclohexylimino-[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-λ6-sulfane;cyclohexylimino-[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-λ6-sulfane;cyclohexylimino-[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-methylimino-oxo-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-[(1R)-1-phenylethyl]imino-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-[(1R)-1-phenylethyl]imino-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-(1-phenylethylimino)-λ6-sulfane has a molecular weight of 3067.83 g/mol, XLogP of 21.26, 37 rotatable bonds, 7 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexylimino-[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-λ6-sulfane;cyclohexylimino-[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-λ6-sulfane;cyclohexylimino-[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-methylimino-oxo-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-[(1R)-1-phenylethyl]imino-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-[(1R)-1-phenylethyl]imino-λ6-sulfane;[3-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-methyl-oxo-(1-phenylethylimino)-λ6-sulfane is sourced from PubChem (CID 157077473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).