N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide

C32H26FN5O — CID 137308433

About N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide

N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide (PubChem CID 137308433) has the molecular formula C32H26FN5O and a molecular weight of 515.59 g/mol. Its IUPAC name is N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide
• PubChem CID: 137308433
• Molecular Formula: C32H26FN5O
• Molecular Weight: 515.59 g/mol
• Exact Mass: 515.21
• IUPAC Name: N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide
• SMILES: Cc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)C7CCC7)c6)cc45)cc23)c1
• InChI: InChI=1S/C32H26FN5O/c1-18-10-21(12-23(33)11-18)25-6-3-7-28-26(25)15-30(36-28)31-27-14-20(8-9-29(27)37-38-31)22-13-24(17-34-16-22)35-32(39)19-4-2-5-19/h3,6-17,19,36H,2,4-5H2,1H3,(H,35,39)(H,37,38)
• InChIKey: IPOUVSQLKZCSKH-UHFFFAOYSA-N
• XLogP: 7.63
• TPSA: 86.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.59
LogP ≤ 5	7.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide?

The IUPAC name of N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide (CID 137308433) is N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide.

What is the SMILES notation for N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide?

The canonical SMILES for N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide is Cc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)C7CCC7)c6)cc45)cc23)c1.

What is the InChIKey of N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide?

The InChIKey is IPOUVSQLKZCSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26FN5O/c1-18-10-21(12-23(33)11-18)25-6-3-7-28-26(25)15-30(36-28)31-27-14-20(8-9-29(27)37-38-31)22-13-24(17-34-16-22)35-32(39)19-4-2-5-19/h3,6-17,19,36H,2,4-5H2,1H3,(H,35,39)(H,37,38).

What are the key properties of N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide?

N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide has a molecular weight of 515.59 g/mol, XLogP of 7.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide is sourced from PubChem (CID 137308433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).