3-cyclopropyl-1-[5-[[[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]amino]methyl]-2-pyridinyl]pyrazole-4-carbonitrile

C24H23N5O3 — CID 139388278

About 3-cyclopropyl-1-[5-[[[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]amino]methyl]-2-pyridinyl]pyrazole-4-carbonitrile

3-cyclopropyl-1-[5-[[[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]amino]methyl]-2-pyridinyl]pyrazole-4-carbonitrile (PubChem CID 139388278) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 3-cyclopropyl-1-[5-[[[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]amino]methyl]-2-pyridinyl]pyrazole-4-carbonitrile.

Molecular Properties

• Compound Name: 3-cyclopropyl-1-[5-[[[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]amino]methyl]-2-pyridinyl]pyrazole-4-carbonitrile
• PubChem CID: 139388278
• Molecular Formula: C24H23N5O3
• Molecular Weight: 429.48 g/mol
• Exact Mass: 429.18
• IUPAC Name: 3-cyclopropyl-1-[5-[[[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]amino]methyl]-2-pyridinyl]pyrazole-4-carbonitrile
• SMILES: Cc1c([C@@H](O)CNCc2ccc(-n3cc(C#N)c(C4CC4)n3)nc2)ccc2c1COC2=O
• InChI: InChI=1S/C24H23N5O3/c1-14-18(5-6-19-20(14)13-32-24(19)31)21(30)11-26-9-15-2-7-22(27-10-15)29-12-17(8-25)23(28-29)16-3-4-16/h2,5-7,10,12,16,21,26,30H,3-4,9,11,13H2,1H3/t21-/m0/s1
• InChIKey: JYVHDLOOORQHHA-NRFANRHFSA-N
• XLogP: 2.82
• TPSA: 113.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.48
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[5-[[[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]amino]methyl]-2-pyridinyl]pyrazole-4-carbonitrile?

The IUPAC name of 3-cyclopropyl-1-[5-[[[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]amino]methyl]-2-pyridinyl]pyrazole-4-carbonitrile (CID 139388278) is 3-cyclopropyl-1-[5-[[[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]amino]methyl]-2-pyridinyl]pyrazole-4-carbonitrile.

What is the SMILES notation for 3-cyclopropyl-1-[5-[[[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]amino]methyl]-2-pyridinyl]pyrazole-4-carbonitrile?

The canonical SMILES for 3-cyclopropyl-1-[5-[[[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]amino]methyl]-2-pyridinyl]pyrazole-4-carbonitrile is Cc1c([C@@H](O)CNCc2ccc(-n3cc(C#N)c(C4CC4)n3)nc2)ccc2c1COC2=O.

What is the InChIKey of 3-cyclopropyl-1-[5-[[[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]amino]methyl]-2-pyridinyl]pyrazole-4-carbonitrile?

The InChIKey is JYVHDLOOORQHHA-NRFANRHFSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-14-18(5-6-19-20(14)13-32-24(19)31)21(30)11-26-9-15-2-7-22(27-10-15)29-12-17(8-25)23(28-29)16-3-4-16/h2,5-7,10,12,16,21,26,30H,3-4,9,11,13H2,1H3/t21-/m0/s1.

What are the key properties of 3-cyclopropyl-1-[5-[[[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]amino]methyl]-2-pyridinyl]pyrazole-4-carbonitrile?

3-cyclopropyl-1-[5-[[[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]amino]methyl]-2-pyridinyl]pyrazole-4-carbonitrile has a molecular weight of 429.48 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-1-[5-[[[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]amino]methyl]-2-pyridinyl]pyrazole-4-carbonitrile is sourced from PubChem (CID 139388278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).