3-cyclopropyl-3-[3-[[(1S)-1-hydroxy-2,2-dimethyl-1-(trifluoromethyl)-3H-inden-5-yl]amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]propanenitrile

C24H24F3N5O2 — CID 137281793

About 3-cyclopropyl-3-[3-[[(1S)-1-hydroxy-2,2-dimethyl-1-(trifluoromethyl)-3H-inden-5-yl]amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]propanenitrile

3-cyclopropyl-3-[3-[[(1S)-1-hydroxy-2,2-dimethyl-1-(trifluoromethyl)-3H-inden-5-yl]amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]propanenitrile (PubChem CID 137281793) has the molecular formula C24H24F3N5O2 and a molecular weight of 471.48 g/mol. Its IUPAC name is 3-cyclopropyl-3-[3-[[(1S)-1-hydroxy-2,2-dimethyl-1-(trifluoromethyl)-3H-inden-5-yl]amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]propanenitrile.

Molecular Properties

• Compound Name: 3-cyclopropyl-3-[3-[[(1S)-1-hydroxy-2,2-dimethyl-1-(trifluoromethyl)-3H-inden-5-yl]amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]propanenitrile
• PubChem CID: 137281793
• Molecular Formula: C24H24F3N5O2
• Molecular Weight: 471.48 g/mol
• Exact Mass: 471.19
• IUPAC Name: 3-cyclopropyl-3-[3-[[(1S)-1-hydroxy-2,2-dimethyl-1-(trifluoromethyl)-3H-inden-5-yl]amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]propanenitrile
• SMILES: CC1(C)Cc2cc(Nc3nn(C(CC#N)C4CC4)c4cc[nH]c(=O)c34)ccc2[C@]1(O)C(F)(F)F
• InChI: InChI=1S/C24H24F3N5O2/c1-22(2)12-14-11-15(5-6-16(14)23(22,34)24(25,26)27)30-20-19-18(8-10-29-21(19)33)32(31-20)17(7-9-28)13-3-4-13/h5-6,8,10-11,13,17,34H,3-4,7,12H2,1-2H3,(H,29,33)(H,30,31)/t17?,23-/m1/s1
• InChIKey: NHSFJNVZPJNPQD-IRCUZVAFSA-N
• XLogP: 4.67
• TPSA: 106.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.48
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[3-[[(1S)-1-hydroxy-2,2-dimethyl-1-(trifluoromethyl)-3H-inden-5-yl]amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]propanenitrile?

The IUPAC name of 3-cyclopropyl-3-[3-[[(1S)-1-hydroxy-2,2-dimethyl-1-(trifluoromethyl)-3H-inden-5-yl]amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]propanenitrile (CID 137281793) is 3-cyclopropyl-3-[3-[[(1S)-1-hydroxy-2,2-dimethyl-1-(trifluoromethyl)-3H-inden-5-yl]amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]propanenitrile.

What is the SMILES notation for 3-cyclopropyl-3-[3-[[(1S)-1-hydroxy-2,2-dimethyl-1-(trifluoromethyl)-3H-inden-5-yl]amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]propanenitrile?

The canonical SMILES for 3-cyclopropyl-3-[3-[[(1S)-1-hydroxy-2,2-dimethyl-1-(trifluoromethyl)-3H-inden-5-yl]amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]propanenitrile is CC1(C)Cc2cc(Nc3nn(C(CC#N)C4CC4)c4cc[nH]c(=O)c34)ccc2[C@]1(O)C(F)(F)F.

What is the InChIKey of 3-cyclopropyl-3-[3-[[(1S)-1-hydroxy-2,2-dimethyl-1-(trifluoromethyl)-3H-inden-5-yl]amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]propanenitrile?

The InChIKey is NHSFJNVZPJNPQD-IRCUZVAFSA-N. The full InChI is InChI=1S/C24H24F3N5O2/c1-22(2)12-14-11-15(5-6-16(14)23(22,34)24(25,26)27)30-20-19-18(8-10-29-21(19)33)32(31-20)17(7-9-28)13-3-4-13/h5-6,8,10-11,13,17,34H,3-4,7,12H2,1-2H3,(H,29,33)(H,30,31)/t17?,23-/m1/s1.

What are the key properties of 3-cyclopropyl-3-[3-[[(1S)-1-hydroxy-2,2-dimethyl-1-(trifluoromethyl)-3H-inden-5-yl]amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]propanenitrile?

3-cyclopropyl-3-[3-[[(1S)-1-hydroxy-2,2-dimethyl-1-(trifluoromethyl)-3H-inden-5-yl]amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]propanenitrile has a molecular weight of 471.48 g/mol, XLogP of 4.67, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-3-[3-[[(1S)-1-hydroxy-2,2-dimethyl-1-(trifluoromethyl)-3H-inden-5-yl]amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]propanenitrile is sourced from PubChem (CID 137281793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).