3-[5-acetyl-1-[(1R,2R)-6-fluoro-2-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]benzonitrile

C25H23FN4O2 — CID 71515663

About 3-[5-acetyl-1-[(1R,2R)-6-fluoro-2-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]benzonitrile

3-[5-acetyl-1-[(1R,2R)-6-fluoro-2-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]benzonitrile (PubChem CID 71515663) has the molecular formula C25H23FN4O2 and a molecular weight of 430.48 g/mol. Its IUPAC name is 3-[5-acetyl-1-[(1R,2R)-6-fluoro-2-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]benzonitrile.

Molecular Properties

• Compound Name: 3-[5-acetyl-1-[(1R,2R)-6-fluoro-2-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]benzonitrile
• PubChem CID: 71515663
• Molecular Formula: C25H23FN4O2
• Molecular Weight: 430.48 g/mol
• Exact Mass: 430.18
• IUPAC Name: 3-[5-acetyl-1-[(1R,2R)-6-fluoro-2-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]benzonitrile
• SMILES: CC(=O)N1CCc2c(c(-c3cccc(C#N)c3)nn2[C@@H]2c3cc(F)cc(C)c3C[C@H]2O)C1
• InChI: InChI=1S/C25H23FN4O2/c1-14-8-18(26)10-20-19(14)11-23(32)25(20)30-22-6-7-29(15(2)31)13-21(22)24(28-30)17-5-3-4-16(9-17)12-27/h3-5,8-10,23,25,32H,6-7,11,13H2,1-2H3/t23-,25-/m1/s1
• InChIKey: UNVZPXYVGXCIJH-ILBGXUMGSA-N
• XLogP: 3.28
• TPSA: 82.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.48
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[5-acetyl-1-[(1R,2R)-6-fluoro-2-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]benzonitrile?

The IUPAC name of 3-[5-acetyl-1-[(1R,2R)-6-fluoro-2-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]benzonitrile (CID 71515663) is 3-[5-acetyl-1-[(1R,2R)-6-fluoro-2-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]benzonitrile.

What is the SMILES notation for 3-[5-acetyl-1-[(1R,2R)-6-fluoro-2-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]benzonitrile?

The canonical SMILES for 3-[5-acetyl-1-[(1R,2R)-6-fluoro-2-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]benzonitrile is CC(=O)N1CCc2c(c(-c3cccc(C#N)c3)nn2[C@@H]2c3cc(F)cc(C)c3C[C@H]2O)C1.

What is the InChIKey of 3-[5-acetyl-1-[(1R,2R)-6-fluoro-2-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]benzonitrile?

The InChIKey is UNVZPXYVGXCIJH-ILBGXUMGSA-N. The full InChI is InChI=1S/C25H23FN4O2/c1-14-8-18(26)10-20-19(14)11-23(32)25(20)30-22-6-7-29(15(2)31)13-21(22)24(28-30)17-5-3-4-16(9-17)12-27/h3-5,8-10,23,25,32H,6-7,11,13H2,1-2H3/t23-,25-/m1/s1.

What are the key properties of 3-[5-acetyl-1-[(1R,2R)-6-fluoro-2-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]benzonitrile?

3-[5-acetyl-1-[(1R,2R)-6-fluoro-2-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]benzonitrile has a molecular weight of 430.48 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-acetyl-1-[(1R,2R)-6-fluoro-2-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]benzonitrile is sourced from PubChem (CID 71515663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).