2-cyclohexyl-N-[5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-6-iodo-1H-indazol-5-yl]-3-pyridinyl]acetamide

C34H29FIN5O — CID 137103287

About 2-cyclohexyl-N-[5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-6-iodo-1H-indazol-5-yl]-3-pyridinyl]acetamide

2-cyclohexyl-N-[5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-6-iodo-1H-indazol-5-yl]-3-pyridinyl]acetamide (PubChem CID 137103287) has the molecular formula C34H29FIN5O and a molecular weight of 669.54 g/mol. Its IUPAC name is 2-cyclohexyl-N-[5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-6-iodo-1H-indazol-5-yl]-3-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 2-cyclohexyl-N-[5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-6-iodo-1H-indazol-5-yl]-3-pyridinyl]acetamide
• PubChem CID: 137103287
• Molecular Formula: C34H29FIN5O
• Molecular Weight: 669.54 g/mol
• Exact Mass: 669.14
• IUPAC Name: 2-cyclohexyl-N-[5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-6-iodo-1H-indazol-5-yl]-3-pyridinyl]acetamide
• SMILES: O=C(CC1CCCCC1)Nc1cncc(-c2cc3c(-c4cc5c(-c6cccc(F)c6)cccc5[nH]4)n[nH]c3cc2I)c1
• InChI: InChI=1S/C34H29FIN5O/c35-23-9-4-8-21(13-23)25-10-5-11-30-27(25)16-32(39-30)34-28-15-26(29(36)17-31(28)40-41-34)22-14-24(19-37-18-22)38-33(42)12-20-6-2-1-3-7-20/h4-5,8-11,13-20,39H,1-3,6-7,12H2,(H,38,42)(H,40,41)
• InChIKey: CZEYUSKNKURSQD-UHFFFAOYSA-N
• XLogP: 9.09
• TPSA: 86.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	669.54
LogP ≤ 5	9.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-6-iodo-1H-indazol-5-yl]-3-pyridinyl]acetamide?

The IUPAC name of 2-cyclohexyl-N-[5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-6-iodo-1H-indazol-5-yl]-3-pyridinyl]acetamide (CID 137103287) is 2-cyclohexyl-N-[5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-6-iodo-1H-indazol-5-yl]-3-pyridinyl]acetamide.

What is the SMILES notation for 2-cyclohexyl-N-[5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-6-iodo-1H-indazol-5-yl]-3-pyridinyl]acetamide?

The canonical SMILES for 2-cyclohexyl-N-[5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-6-iodo-1H-indazol-5-yl]-3-pyridinyl]acetamide is O=C(CC1CCCCC1)Nc1cncc(-c2cc3c(-c4cc5c(-c6cccc(F)c6)cccc5[nH]4)n[nH]c3cc2I)c1.

What is the InChIKey of 2-cyclohexyl-N-[5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-6-iodo-1H-indazol-5-yl]-3-pyridinyl]acetamide?

The InChIKey is CZEYUSKNKURSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29FIN5O/c35-23-9-4-8-21(13-23)25-10-5-11-30-27(25)16-32(39-30)34-28-15-26(29(36)17-31(28)40-41-34)22-14-24(19-37-18-22)38-33(42)12-20-6-2-1-3-7-20/h4-5,8-11,13-20,39H,1-3,6-7,12H2,(H,38,42)(H,40,41).

What are the key properties of 2-cyclohexyl-N-[5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-6-iodo-1H-indazol-5-yl]-3-pyridinyl]acetamide?

2-cyclohexyl-N-[5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-6-iodo-1H-indazol-5-yl]-3-pyridinyl]acetamide has a molecular weight of 669.54 g/mol, XLogP of 9.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclohexyl-N-[5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-6-iodo-1H-indazol-5-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 137103287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).