2-cyclopropyl-2-[3-[[1-hydroxy-1-(trifluoromethyl)-2,3-dihydroinden-5-yl]amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]cyclopropane-1-carbonitrile

C23H20F3N5O2 — CID 137031196

About 2-cyclopropyl-2-[3-[[1-hydroxy-1-(trifluoromethyl)-2,3-dihydroinden-5-yl]amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]cyclopropane-1-carbonitrile

2-cyclopropyl-2-[3-[[1-hydroxy-1-(trifluoromethyl)-2,3-dihydroinden-5-yl]amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]cyclopropane-1-carbonitrile (PubChem CID 137031196) has the molecular formula C23H20F3N5O2 and a molecular weight of 455.44 g/mol. Its IUPAC name is 2-cyclopropyl-2-[3-[[1-hydroxy-1-(trifluoromethyl)-2,3-dihydroinden-5-yl]amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]cyclopropane-1-carbonitrile.

Molecular Properties

• Compound Name: 2-cyclopropyl-2-[3-[[1-hydroxy-1-(trifluoromethyl)-2,3-dihydroinden-5-yl]amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]cyclopropane-1-carbonitrile
• PubChem CID: 137031196
• Molecular Formula: C23H20F3N5O2
• Molecular Weight: 455.44 g/mol
• Exact Mass: 455.16
• IUPAC Name: 2-cyclopropyl-2-[3-[[1-hydroxy-1-(trifluoromethyl)-2,3-dihydroinden-5-yl]amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]cyclopropane-1-carbonitrile
• SMILES: N#CC1CC1(C1CC1)n1nc(Nc2ccc3c(c2)CCC3(O)C(F)(F)F)c2c(=O)[nH]ccc21
• InChI: InChI=1S/C23H20F3N5O2/c24-23(25,26)22(33)7-5-12-9-15(3-4-16(12)22)29-19-18-17(6-8-28-20(18)32)31(30-19)21(13-1-2-13)10-14(21)11-27/h3-4,6,8-9,13-14,33H,1-2,5,7,10H2,(H,28,32)(H,29,30)
• InChIKey: LXTGCAJAGNGEIQ-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 106.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.44
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-cyclopropyl-2-[3-[[1-hydroxy-1-(trifluoromethyl)-2,3-dihydroinden-5-yl]amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]cyclopropane-1-carbonitrile (CID 137031196) is 2-cyclopropyl-2-[3-[[1-hydroxy-1-(trifluoromethyl)-2,3-dihydroinden-5-yl]amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]cyclopropane-1-carbonitrile.

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

The canonical SMILES for 2-cyclopropyl-2-[3-[[1-hydroxy-1-(trifluoromethyl)-2,3-dihydroinden-5-yl]amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]cyclopropane-1-carbonitrile is N#CC1CC1(C1CC1)n1nc(Nc2ccc3c(c2)CCC3(O)C(F)(F)F)c2c(=O)[nH]ccc21.

What is the InChIKey of 2-cyclopropyl-2-[3-[[1-hydroxy-1-(trifluoromethyl)-2,3-dihydroinden-5-yl]amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]cyclopropane-1-carbonitrile?

The InChIKey is LXTGCAJAGNGEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O2/c24-23(25,26)22(33)7-5-12-9-15(3-4-16(12)22)29-19-18-17(6-8-28-20(18)32)31(30-19)21(13-1-2-13)10-14(21)11-27/h3-4,6,8-9,13-14,33H,1-2,5,7,10H2,(H,28,32)(H,29,30).

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

2-cyclopropyl-2-[3-[[1-hydroxy-1-(trifluoromethyl)-2,3-dihydroinden-5-yl]amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]cyclopropane-1-carbonitrile has a molecular weight of 455.44 g/mol, XLogP of 3.81, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-2-[3-[[1-hydroxy-1-(trifluoromethyl)-2,3-dihydroinden-5-yl]amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 137031196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).