N-[5-[3-[4-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-5-methyl-1H-imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide

C29H27FN6O — CID 139325843

About N-[5-[3-[4-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-5-methyl-1H-imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide

N-[5-[3-[4-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-5-methyl-1H-imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide (PubChem CID 139325843) has the molecular formula C29H27FN6O and a molecular weight of 494.57 g/mol. Its IUPAC name is N-[5-[3-[4-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-5-methyl-1H-imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[5-[3-[4-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-5-methyl-1H-imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide
• PubChem CID: 139325843
• Molecular Formula: C29H27FN6O
• Molecular Weight: 494.57 g/mol
• Exact Mass: 494.22
• IUPAC Name: N-[5-[3-[4-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-5-methyl-1H-imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide
• SMILES: C/C=C(/c1ccc(F)cc1)c1nc(-c2n[nH]c3ccc(-c4cncc(NC(=O)C(C)C)c4)cc23)[nH]c1C
• InChI: InChI=1S/C29H27FN6O/c1-5-23(18-6-9-21(30)10-7-18)26-17(4)32-28(34-26)27-24-13-19(8-11-25(24)35-36-27)20-12-22(15-31-14-20)33-29(37)16(2)3/h5-16H,1-4H3,(H,32,34)(H,33,37)(H,35,36)/b23-5-
• InChIKey: VFLZQZPTJDECRG-FPQMYIDKSA-N
• XLogP: 6.51
• TPSA: 99.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.57
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[4-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-5-methyl-1H-imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide?

The IUPAC name of N-[5-[3-[4-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-5-methyl-1H-imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide (CID 139325843) is N-[5-[3-[4-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-5-methyl-1H-imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide.

What is the SMILES notation for N-[5-[3-[4-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-5-methyl-1H-imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide?

The canonical SMILES for N-[5-[3-[4-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-5-methyl-1H-imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide is C/C=C(/c1ccc(F)cc1)c1nc(-c2n[nH]c3ccc(-c4cncc(NC(=O)C(C)C)c4)cc23)[nH]c1C.

What is the InChIKey of N-[5-[3-[4-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-5-methyl-1H-imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide?

The InChIKey is VFLZQZPTJDECRG-FPQMYIDKSA-N. The full InChI is InChI=1S/C29H27FN6O/c1-5-23(18-6-9-21(30)10-7-18)26-17(4)32-28(34-26)27-24-13-19(8-11-25(24)35-36-27)20-12-22(15-31-14-20)33-29(37)16(2)3/h5-16H,1-4H3,(H,32,34)(H,33,37)(H,35,36)/b23-5-.

What are the key properties of N-[5-[3-[4-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-5-methyl-1H-imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide?

N-[5-[3-[4-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-5-methyl-1H-imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide has a molecular weight of 494.57 g/mol, XLogP of 6.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[4-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-5-methyl-1H-imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 139325843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).