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

C31H25N5O2S — CID 137115785

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

N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide (PubChem CID 137115785) has the molecular formula C31H25N5O2S and a molecular weight of 531.64 g/mol. Its IUPAC name is N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide
• PubChem CID: 137115785
• Molecular Formula: C31H25N5O2S
• Molecular Weight: 531.64 g/mol
• Exact Mass: 531.17
• IUPAC Name: N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide
• SMILES: CC(=O)c1ccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)C7CCC7)c6)cc45)cc23)s1
• InChI: InChI=1S/C31H25N5O2S/c1-17(37)28-10-11-29(39-28)22-6-3-7-25-23(22)14-27(34-25)30-24-13-19(8-9-26(24)35-36-30)20-12-21(16-32-15-20)33-31(38)18-4-2-5-18/h3,6-16,18,34H,2,4-5H2,1H3,(H,33,38)(H,35,36)
• InChIKey: AFWFZSJVFYDPEE-UHFFFAOYSA-N
• XLogP: 7.44
• TPSA: 103.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.64
LogP ≤ 5	7.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide (CID 137115785) is N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide.

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

The canonical SMILES for N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide is CC(=O)c1ccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)C7CCC7)c6)cc45)cc23)s1.

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

The InChIKey is AFWFZSJVFYDPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N5O2S/c1-17(37)28-10-11-29(39-28)22-6-3-7-25-23(22)14-27(34-25)30-24-13-19(8-9-26(24)35-36-30)20-12-21(16-32-15-20)33-31(38)18-4-2-5-18/h3,6-16,18,34H,2,4-5H2,1H3,(H,33,38)(H,35,36).

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

N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide has a molecular weight of 531.64 g/mol, XLogP of 7.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide is sourced from PubChem (CID 137115785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).