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

C26H26F2N10O2 — CID 118206137

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

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(3R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]amino]pyridine-3-carboxamide (PubChem CID 118206137) has the molecular formula C26H26F2N10O2 and a molecular weight of 548.56 g/mol. Its IUPAC name is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(3R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-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-[[(3R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]amino]pyridine-3-carboxamide
• PubChem CID: 118206137
• Molecular Formula: C26H26F2N10O2
• Molecular Weight: 548.56 g/mol
• Exact Mass: 548.22
• IUPAC Name: 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(3R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]amino]pyridine-3-carboxamide
• SMILES: CC(C)(O)[C@H](F)CNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1N[C@@H]1CCN(c2ncc(F)cn2)C1
• InChI: InChI=1S/C26H26F2N10O2/c1-26(2,40)21(28)13-32-24(39)19-12-30-22(38-23-16(9-35-38)5-15(7-29)8-31-23)6-20(19)36-18-3-4-37(14-18)25-33-10-17(27)11-34-25/h5-6,8-12,18,21,40H,3-4,13-14H2,1-2H3,(H,30,36)(H,32,39)/t18-,21-/m1/s1
• InChIKey: SCXQOHWTUJZMSL-WIYYLYMNSA-N
• XLogP: 2.15
• TPSA: 157.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.56
LogP ≤ 5	2.15
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-[[(3R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-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-[[(3R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]amino]pyridine-3-carboxamide (CID 118206137) is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(3R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-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-[[(3R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-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-[[(3R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]amino]pyridine-3-carboxamide is CC(C)(O)[C@H](F)CNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1N[C@@H]1CCN(c2ncc(F)cn2)C1.

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

The InChIKey is SCXQOHWTUJZMSL-WIYYLYMNSA-N. The full InChI is InChI=1S/C26H26F2N10O2/c1-26(2,40)21(28)13-32-24(39)19-12-30-22(38-23-16(9-35-38)5-15(7-29)8-31-23)6-20(19)36-18-3-4-37(14-18)25-33-10-17(27)11-34-25/h5-6,8-12,18,21,40H,3-4,13-14H2,1-2H3,(H,30,36)(H,32,39)/t18-,21-/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-[[(3R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]amino]pyridine-3-carboxamide?

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(3R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]amino]pyridine-3-carboxamide has a molecular weight of 548.56 g/mol, XLogP of 2.15, 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-[[(3R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 118206137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).