6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]amino]pyridine-3-carboxamide

C27H28F2N10O2 — CID 118206320

About 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]amino]pyridine-3-carboxamide

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]amino]pyridine-3-carboxamide (PubChem CID 118206320) has the molecular formula C27H28F2N10O2 and a molecular weight of 562.59 g/mol. Its IUPAC name is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]amino]pyridine-3-carboxamide
• PubChem CID: 118206320
• Molecular Formula: C27H28F2N10O2
• Molecular Weight: 562.59 g/mol
• Exact Mass: 562.24
• IUPAC Name: 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]amino]pyridine-3-carboxamide
• SMILES: CC(C)(O)[C@H](F)CNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1NC1CCN(c2ncc(F)cn2)CC1
• InChI: InChI=1S/C27H28F2N10O2/c1-27(2,41)22(29)15-33-25(40)20-14-31-23(39-24-17(11-36-39)7-16(9-30)10-32-24)8-21(20)37-19-3-5-38(6-4-19)26-34-12-18(28)13-35-26/h7-8,10-14,19,22,41H,3-6,15H2,1-2H3,(H,31,37)(H,33,40)/t22-/m1/s1
• InChIKey: HTFWDVFSXSXTOX-JOCHJYFZSA-N
• XLogP: 2.54
• TPSA: 157.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.59
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]amino]pyridine-3-carboxamide?

The IUPAC name of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]amino]pyridine-3-carboxamide (CID 118206320) is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]amino]pyridine-3-carboxamide.

What is the SMILES notation for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]amino]pyridine-3-carboxamide?

The canonical SMILES for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]amino]pyridine-3-carboxamide is CC(C)(O)[C@H](F)CNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1NC1CCN(c2ncc(F)cn2)CC1.

What is the InChIKey of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]amino]pyridine-3-carboxamide?

The InChIKey is HTFWDVFSXSXTOX-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H28F2N10O2/c1-27(2,41)22(29)15-33-25(40)20-14-31-23(39-24-17(11-36-39)7-16(9-30)10-32-24)8-21(20)37-19-3-5-38(6-4-19)26-34-12-18(28)13-35-26/h7-8,10-14,19,22,41H,3-6,15H2,1-2H3,(H,31,37)(H,33,40)/t22-/m1/s1.

What are the key properties of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]amino]pyridine-3-carboxamide?

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]amino]pyridine-3-carboxamide has a molecular weight of 562.59 g/mol, XLogP of 2.54, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 118206320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).