4-[(3-fluorocyclobutyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(pyrazolo[1,5-a]pyridin-5-ylamino)pyridine-3-carboxamide

C22H26F2N6O2 — CID 90155459

About 4-[(3-fluorocyclobutyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(pyrazolo[1,5-a]pyridin-5-ylamino)pyridine-3-carboxamide

4-[(3-fluorocyclobutyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(pyrazolo[1,5-a]pyridin-5-ylamino)pyridine-3-carboxamide (PubChem CID 90155459) has the molecular formula C22H26F2N6O2 and a molecular weight of 444.49 g/mol. Its IUPAC name is 4-[(3-fluorocyclobutyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(pyrazolo[1,5-a]pyridin-5-ylamino)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[(3-fluorocyclobutyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(pyrazolo[1,5-a]pyridin-5-ylamino)pyridine-3-carboxamide
• PubChem CID: 90155459
• Molecular Formula: C22H26F2N6O2
• Molecular Weight: 444.49 g/mol
• Exact Mass: 444.21
• IUPAC Name: 4-[(3-fluorocyclobutyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(pyrazolo[1,5-a]pyridin-5-ylamino)pyridine-3-carboxamide
• SMILES: CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3c2)cc1NC1CC(F)C1
• InChI: InChI=1S/C22H26F2N6O2/c1-22(2,32)19(24)12-26-21(31)17-11-25-20(10-18(17)28-15-7-13(23)8-15)29-14-4-6-30-16(9-14)3-5-27-30/h3-6,9-11,13,15,19,32H,7-8,12H2,1-2H3,(H,26,31)(H2,25,28,29)/t13?,15?,19-/m1/s1
• InChIKey: DZCCKLZTXHMIJX-TYJKZOGGSA-N
• XLogP: 3.22
• TPSA: 103.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.49
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-[(3-fluorocyclobutyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(pyrazolo[1,5-a]pyridin-5-ylamino)pyridine-3-carboxamide (CID 90155459) is 4-[(3-fluorocyclobutyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(pyrazolo[1,5-a]pyridin-5-ylamino)pyridine-3-carboxamide.

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

The canonical SMILES for 4-[(3-fluorocyclobutyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(pyrazolo[1,5-a]pyridin-5-ylamino)pyridine-3-carboxamide is CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3c2)cc1NC1CC(F)C1.

What is the InChIKey of 4-[(3-fluorocyclobutyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(pyrazolo[1,5-a]pyridin-5-ylamino)pyridine-3-carboxamide?

The InChIKey is DZCCKLZTXHMIJX-TYJKZOGGSA-N. The full InChI is InChI=1S/C22H26F2N6O2/c1-22(2,32)19(24)12-26-21(31)17-11-25-20(10-18(17)28-15-7-13(23)8-15)29-14-4-6-30-16(9-14)3-5-27-30/h3-6,9-11,13,15,19,32H,7-8,12H2,1-2H3,(H,26,31)(H2,25,28,29)/t13?,15?,19-/m1/s1.

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

4-[(3-fluorocyclobutyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(pyrazolo[1,5-a]pyridin-5-ylamino)pyridine-3-carboxamide has a molecular weight of 444.49 g/mol, XLogP of 3.22, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3-fluorocyclobutyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(pyrazolo[1,5-a]pyridin-5-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 90155459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).