5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-hydroxy-7-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide

C32H28F6N4O3 — CID 147147541

About 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-hydroxy-7-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide

5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-hydroxy-7-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide (PubChem CID 147147541) has the molecular formula C32H28F6N4O3 and a molecular weight of 630.59 g/mol. Its IUPAC name is 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-hydroxy-7-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide.

Molecular Properties

• Compound Name: 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-hydroxy-7-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide
• PubChem CID: 147147541
• Molecular Formula: C32H28F6N4O3
• Molecular Weight: 630.59 g/mol
• Exact Mass: 630.21
• IUPAC Name: 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-hydroxy-7-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide
• SMILES: CC1(O)CCCc2c(C(F)(F)F)nn(CC(=O)C[C@@H](Cc3cc(F)cc(F)c3)c3ncccc3-c3ccc(F)c(C(N)=O)c3)c21
• InChI: InChI=1S/C32H28F6N4O3/c1-31(45)8-2-4-24-28(32(36,37)38)41-42(29(24)31)16-22(43)13-19(10-17-11-20(33)15-21(34)12-17)27-23(5-3-9-40-27)18-6-7-26(35)25(14-18)30(39)44/h3,5-7,9,11-12,14-15,19,45H,2,4,8,10,13,16H2,1H3,(H2,39,44)/t19-,31?/m1/s1
• InChIKey: BTISEIIWUJGOLO-MFUYNUFSSA-N
• XLogP: 6.01
• TPSA: 111.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	630.59
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-hydroxy-7-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?

The IUPAC name of 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-hydroxy-7-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide (CID 147147541) is 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-hydroxy-7-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide.

What is the SMILES notation for 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-hydroxy-7-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?

The canonical SMILES for 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-hydroxy-7-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide is CC1(O)CCCc2c(C(F)(F)F)nn(CC(=O)C[C@@H](Cc3cc(F)cc(F)c3)c3ncccc3-c3ccc(F)c(C(N)=O)c3)c21.

What is the InChIKey of 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-hydroxy-7-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?

The InChIKey is BTISEIIWUJGOLO-MFUYNUFSSA-N. The full InChI is InChI=1S/C32H28F6N4O3/c1-31(45)8-2-4-24-28(32(36,37)38)41-42(29(24)31)16-22(43)13-19(10-17-11-20(33)15-21(34)12-17)27-23(5-3-9-40-27)18-6-7-26(35)25(14-18)30(39)44/h3,5-7,9,11-12,14-15,19,45H,2,4,8,10,13,16H2,1H3,(H2,39,44)/t19-,31?/m1/s1.

What are the key properties of 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-hydroxy-7-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?

5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-hydroxy-7-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide has a molecular weight of 630.59 g/mol, XLogP of 6.01, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-hydroxy-7-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 147147541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).