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

C30H24FN5O — CID 137308415

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

N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide (PubChem CID 137308415) has the molecular formula C30H24FN5O and a molecular weight of 489.55 g/mol. Its IUPAC name is N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide.

Molecular Properties

• Compound Name: N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
• PubChem CID: 137308415
• Molecular Formula: C30H24FN5O
• Molecular Weight: 489.55 g/mol
• Exact Mass: 489.20
• IUPAC Name: N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
• SMILES: CCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(C)cc(F)c6)cccc5[nH]4)c3c2)c1
• InChI: InChI=1S/C30H24FN5O/c1-3-29(37)33-22-12-20(15-32-16-22)18-7-8-27-25(13-18)30(36-35-27)28-14-24-23(5-4-6-26(24)34-28)19-9-17(2)10-21(31)11-19/h4-16,34H,3H2,1-2H3,(H,33,37)(H,35,36)
• InChIKey: FAETYRVXQSGBGP-UHFFFAOYSA-N
• XLogP: 7.24
• TPSA: 86.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.55
LogP ≤ 5	7.24
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]propanamide?

The IUPAC name of N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide (CID 137308415) is N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide.

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

The canonical SMILES for N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide is CCC(=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]propanamide?

The InChIKey is FAETYRVXQSGBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24FN5O/c1-3-29(37)33-22-12-20(15-32-16-22)18-7-8-27-25(13-18)30(36-35-27)28-14-24-23(5-4-6-26(24)34-28)19-9-17(2)10-21(31)11-19/h4-16,34H,3H2,1-2H3,(H,33,37)(H,35,36).

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

N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide has a molecular weight of 489.55 g/mol, XLogP of 7.24, 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]propanamide is sourced from PubChem (CID 137308415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).