2-(2-tert-butylpyrazolo[3,4-b]pyridin-5-yl)-3-[4-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-4-carbonitrile

C24H26FN9 — CID 170761999

About 2-(2-tert-butylpyrazolo[3,4-b]pyridin-5-yl)-3-[4-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-4-carbonitrile

2-(2-tert-butylpyrazolo[3,4-b]pyridin-5-yl)-3-[4-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-4-carbonitrile (PubChem CID 170761999) has the molecular formula C24H26FN9 and a molecular weight of 459.53 g/mol. Its IUPAC name is 2-(2-tert-butylpyrazolo[3,4-b]pyridin-5-yl)-3-[4-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

• Compound Name: 2-(2-tert-butylpyrazolo[3,4-b]pyridin-5-yl)-3-[4-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-4-carbonitrile
• PubChem CID: 170761999
• Molecular Formula: C24H26FN9
• Molecular Weight: 459.53 g/mol
• Exact Mass: 459.23
• IUPAC Name: 2-(2-tert-butylpyrazolo[3,4-b]pyridin-5-yl)-3-[4-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-4-carbonitrile
• SMILES: Cn1cnnc1C1(F)CCN(c2c(C#N)ccnc2-c2cnc3nn(C(C)(C)C)cc3c2)CC1
• InChI: InChI=1S/C24H26FN9/c1-23(2,3)34-14-18-11-17(13-28-21(18)31-34)19-20(16(12-26)5-8-27-19)33-9-6-24(25,7-10-33)22-30-29-15-32(22)4/h5,8,11,13-15H,6-7,9-10H2,1-4H3
• InChIKey: GUIGECLAWNMCPW-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 101.34 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.53
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylpyrazolo[3,4-b]pyridin-5-yl)-3-[4-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-4-carbonitrile?

The IUPAC name of 2-(2-tert-butylpyrazolo[3,4-b]pyridin-5-yl)-3-[4-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-4-carbonitrile (CID 170761999) is 2-(2-tert-butylpyrazolo[3,4-b]pyridin-5-yl)-3-[4-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-4-carbonitrile.

What is the SMILES notation for 2-(2-tert-butylpyrazolo[3,4-b]pyridin-5-yl)-3-[4-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-4-carbonitrile?

The canonical SMILES for 2-(2-tert-butylpyrazolo[3,4-b]pyridin-5-yl)-3-[4-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-4-carbonitrile is Cn1cnnc1C1(F)CCN(c2c(C#N)ccnc2-c2cnc3nn(C(C)(C)C)cc3c2)CC1.

What is the InChIKey of 2-(2-tert-butylpyrazolo[3,4-b]pyridin-5-yl)-3-[4-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-4-carbonitrile?

The InChIKey is GUIGECLAWNMCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN9/c1-23(2,3)34-14-18-11-17(13-28-21(18)31-34)19-20(16(12-26)5-8-27-19)33-9-6-24(25,7-10-33)22-30-29-15-32(22)4/h5,8,11,13-15H,6-7,9-10H2,1-4H3.

What are the key properties of 2-(2-tert-butylpyrazolo[3,4-b]pyridin-5-yl)-3-[4-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-4-carbonitrile?

2-(2-tert-butylpyrazolo[3,4-b]pyridin-5-yl)-3-[4-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-4-carbonitrile has a molecular weight of 459.53 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-tert-butylpyrazolo[3,4-b]pyridin-5-yl)-3-[4-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 170761999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).