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

C31H26FN5O — CID 137308428

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

N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide (PubChem CID 137308428) has the molecular formula C31H26FN5O and a molecular weight of 503.58 g/mol. Its IUPAC name is N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide.

Molecular Properties

• Compound Name: N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide
• PubChem CID: 137308428
• Molecular Formula: C31H26FN5O
• Molecular Weight: 503.58 g/mol
• Exact Mass: 503.21
• IUPAC Name: N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide
• SMILES: CCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(C)cc(F)c6)cccc5[nH]4)c3c2)c1
• InChI: InChI=1S/C31H26FN5O/c1-3-5-30(38)34-23-13-21(16-33-17-23)19-8-9-28-26(14-19)31(37-36-28)29-15-25-24(6-4-7-27(25)35-29)20-10-18(2)11-22(32)12-20/h4,6-17,35H,3,5H2,1-2H3,(H,34,38)(H,36,37)
• InChIKey: HDNOZJXROZETQD-UHFFFAOYSA-N
• XLogP: 7.63
• TPSA: 86.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.58
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]butanamide?

The IUPAC name of N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide (CID 137308428) is N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide.

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

The canonical SMILES for N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide is CCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(C)cc(F)c6)cccc5[nH]4)c3c2)c1.

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

The InChIKey is HDNOZJXROZETQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26FN5O/c1-3-5-30(38)34-23-13-21(16-33-17-23)19-8-9-28-26(14-19)31(37-36-28)29-15-25-24(6-4-7-27(25)35-29)20-10-18(2)11-22(32)12-20/h4,6-17,35H,3,5H2,1-2H3,(H,34,38)(H,36,37).

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

N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide has a molecular weight of 503.58 g/mol, XLogP of 7.63, 6 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]butanamide is sourced from PubChem (CID 137308428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).