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

C26H26F2N10O2 — CID 139508114

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

6-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[(3R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]amino]pyridine-3-carboxamide (PubChem CID 139508114) has the molecular formula C26H26F2N10O2 and a molecular weight of 548.56 g/mol. Its IUPAC name is 6-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-N-(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-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[(3R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]amino]pyridine-3-carboxamide
• PubChem CID: 139508114
• Molecular Formula: C26H26F2N10O2
• Molecular Weight: 548.56 g/mol
• Exact Mass: 548.22
• IUPAC Name: 6-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-N-(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(F)CNC(=O)c1cnc(-c2cnn3cc(C#N)cnc23)cc1N[C@@H]1CCN(c2ncc(F)cn2)C1
• InChI: InChI=1S/C26H26F2N10O2/c1-26(2,40)22(28)12-32-24(39)19-10-30-20(18-11-35-38-13-15(6-29)7-31-23(18)38)5-21(19)36-17-3-4-37(14-17)25-33-8-16(27)9-34-25/h5,7-11,13,17,22,40H,3-4,12,14H2,1-2H3,(H,30,36)(H,32,39)/t17-,22?/m1/s1
• InChIKey: FYGURBVUGDGMQE-PLEWWHCXSA-N
• XLogP: 2.12
• TPSA: 157.25 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	2.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 6-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-N-(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-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[(3R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]amino]pyridine-3-carboxamide (CID 139508114) is 6-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-N-(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-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-N-(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-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-N-(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(F)CNC(=O)c1cnc(-c2cnn3cc(C#N)cnc23)cc1N[C@@H]1CCN(c2ncc(F)cn2)C1.

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

The InChIKey is FYGURBVUGDGMQE-PLEWWHCXSA-N. The full InChI is InChI=1S/C26H26F2N10O2/c1-26(2,40)22(28)12-32-24(39)19-10-30-20(18-11-35-38-13-15(6-29)7-31-23(18)38)5-21(19)36-17-3-4-37(14-17)25-33-8-16(27)9-34-25/h5,7-11,13,17,22,40H,3-4,12,14H2,1-2H3,(H,30,36)(H,32,39)/t17-,22?/m1/s1.

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

6-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-N-(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 2.12, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-N-(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 139508114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).