N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(2-fluoro-2-methylpropyl)amino]-6-[(3-fluoropyrazolo[1,5-a]pyridin-5-yl)amino]pyridine-3-carboxamide

C22H27F3N6O2 — CID 123268701

About N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(2-fluoro-2-methylpropyl)amino]-6-[(3-fluoropyrazolo[1,5-a]pyridin-5-yl)amino]pyridine-3-carboxamide

N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(2-fluoro-2-methylpropyl)amino]-6-[(3-fluoropyrazolo[1,5-a]pyridin-5-yl)amino]pyridine-3-carboxamide (PubChem CID 123268701) has the molecular formula C22H27F3N6O2 and a molecular weight of 464.49 g/mol. Its IUPAC name is N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(2-fluoro-2-methylpropyl)amino]-6-[(3-fluoropyrazolo[1,5-a]pyridin-5-yl)amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(2-fluoro-2-methylpropyl)amino]-6-[(3-fluoropyrazolo[1,5-a]pyridin-5-yl)amino]pyridine-3-carboxamide
• PubChem CID: 123268701
• Molecular Formula: C22H27F3N6O2
• Molecular Weight: 464.49 g/mol
• Exact Mass: 464.21
• IUPAC Name: N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(2-fluoro-2-methylpropyl)amino]-6-[(3-fluoropyrazolo[1,5-a]pyridin-5-yl)amino]pyridine-3-carboxamide
• SMILES: CC(C)(F)CNc1cc(Nc2ccn3ncc(F)c3c2)ncc1C(=O)NCC(F)C(C)(C)O
• InChI: InChI=1S/C22H27F3N6O2/c1-21(2,25)12-28-16-8-19(30-13-5-6-31-17(7-13)15(23)10-29-31)26-9-14(16)20(32)27-11-18(24)22(3,4)33/h5-10,18,33H,11-12H2,1-4H3,(H,27,32)(H2,26,28,30)
• InChIKey: DDJDYORECOJNDC-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 103.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.49
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(2-fluoro-2-methylpropyl)amino]-6-[(3-fluoropyrazolo[1,5-a]pyridin-5-yl)amino]pyridine-3-carboxamide?

The IUPAC name of N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(2-fluoro-2-methylpropyl)amino]-6-[(3-fluoropyrazolo[1,5-a]pyridin-5-yl)amino]pyridine-3-carboxamide (CID 123268701) is N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(2-fluoro-2-methylpropyl)amino]-6-[(3-fluoropyrazolo[1,5-a]pyridin-5-yl)amino]pyridine-3-carboxamide.

What is the SMILES notation for N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(2-fluoro-2-methylpropyl)amino]-6-[(3-fluoropyrazolo[1,5-a]pyridin-5-yl)amino]pyridine-3-carboxamide?

The canonical SMILES for N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(2-fluoro-2-methylpropyl)amino]-6-[(3-fluoropyrazolo[1,5-a]pyridin-5-yl)amino]pyridine-3-carboxamide is CC(C)(F)CNc1cc(Nc2ccn3ncc(F)c3c2)ncc1C(=O)NCC(F)C(C)(C)O.

What is the InChIKey of N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(2-fluoro-2-methylpropyl)amino]-6-[(3-fluoropyrazolo[1,5-a]pyridin-5-yl)amino]pyridine-3-carboxamide?

The InChIKey is DDJDYORECOJNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N6O2/c1-21(2,25)12-28-16-8-19(30-13-5-6-31-17(7-13)15(23)10-29-31)26-9-14(16)20(32)27-11-18(24)22(3,4)33/h5-10,18,33H,11-12H2,1-4H3,(H,27,32)(H2,26,28,30).

What are the key properties of N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(2-fluoro-2-methylpropyl)amino]-6-[(3-fluoropyrazolo[1,5-a]pyridin-5-yl)amino]pyridine-3-carboxamide?

N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(2-fluoro-2-methylpropyl)amino]-6-[(3-fluoropyrazolo[1,5-a]pyridin-5-yl)amino]pyridine-3-carboxamide has a molecular weight of 464.49 g/mol, XLogP of 3.61, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(2-fluoro-2-methylpropyl)amino]-6-[(3-fluoropyrazolo[1,5-a]pyridin-5-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 123268701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).