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

C21H27FN6O2 — CID 123710508

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

N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)-6-(pyrazolo[1,5-a]pyridin-5-ylamino)pyridine-3-carboxamide (PubChem CID 123710508) has the molecular formula C21H27FN6O2 and a molecular weight of 414.49 g/mol. Its IUPAC name is N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)-6-(pyrazolo[1,5-a]pyridin-5-ylamino)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)-6-(pyrazolo[1,5-a]pyridin-5-ylamino)pyridine-3-carboxamide
• PubChem CID: 123710508
• Molecular Formula: C21H27FN6O2
• Molecular Weight: 414.49 g/mol
• Exact Mass: 414.22
• IUPAC Name: N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)-6-(pyrazolo[1,5-a]pyridin-5-ylamino)pyridine-3-carboxamide
• SMILES: CC(C)Nc1cc(Nc2ccn3nccc3c2)ncc1C(=O)NCC(F)C(C)(C)O
• InChI: InChI=1S/C21H27FN6O2/c1-13(2)26-17-10-19(27-14-6-8-28-15(9-14)5-7-25-28)23-11-16(17)20(29)24-12-18(22)21(3,4)30/h5-11,13,18,30H,12H2,1-4H3,(H,24,29)(H2,23,26,27)
• InChIKey: NJFZVTRBFOQANG-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 103.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.49
LogP ≤ 5	3.13
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-(propan-2-ylamino)-6-(pyrazolo[1,5-a]pyridin-5-ylamino)pyridine-3-carboxamide?

The IUPAC name of N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)-6-(pyrazolo[1,5-a]pyridin-5-ylamino)pyridine-3-carboxamide (CID 123710508) is N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)-6-(pyrazolo[1,5-a]pyridin-5-ylamino)pyridine-3-carboxamide.

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

The canonical SMILES for N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)-6-(pyrazolo[1,5-a]pyridin-5-ylamino)pyridine-3-carboxamide is CC(C)Nc1cc(Nc2ccn3nccc3c2)ncc1C(=O)NCC(F)C(C)(C)O.

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

The InChIKey is NJFZVTRBFOQANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN6O2/c1-13(2)26-17-10-19(27-14-6-8-28-15(9-14)5-7-25-28)23-11-16(17)20(29)24-12-18(22)21(3,4)30/h5-11,13,18,30H,12H2,1-4H3,(H,24,29)(H2,23,26,27).

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

N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)-6-(pyrazolo[1,5-a]pyridin-5-ylamino)pyridine-3-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 3.13, 8 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-(propan-2-ylamino)-6-(pyrazolo[1,5-a]pyridin-5-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 123710508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).