6-(5-bromopyrazolo[3,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide

C20H24BrFN6O2 — CID 118206138

About 6-(5-bromopyrazolo[3,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide

6-(5-bromopyrazolo[3,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 118206138) has the molecular formula C20H24BrFN6O2 and a molecular weight of 479.35 g/mol. Its IUPAC name is 6-(5-bromopyrazolo[3,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(5-bromopyrazolo[3,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
• PubChem CID: 118206138
• Molecular Formula: C20H24BrFN6O2
• Molecular Weight: 479.35 g/mol
• Exact Mass: 478.11
• IUPAC Name: 6-(5-bromopyrazolo[3,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
• SMILES: CC(C)Nc1cc(-n2ncc3cc(Br)cnc32)ncc1C(=O)NC[C@@H](F)C(C)(C)O
• InChI: InChI=1S/C20H24BrFN6O2/c1-11(2)27-15-6-17(28-18-12(7-26-28)5-13(21)8-24-18)23-9-14(15)19(29)25-10-16(22)20(3,4)30/h5-9,11,16,30H,10H2,1-4H3,(H,23,27)(H,25,29)/t16-/m1/s1
• InChIKey: SXZNJGZYTHGZCA-MRXNPFEDSA-N
• XLogP: 3.24
• TPSA: 104.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.35
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromopyrazolo[3,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?

The IUPAC name of 6-(5-bromopyrazolo[3,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide (CID 118206138) is 6-(5-bromopyrazolo[3,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide.

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

The canonical SMILES for 6-(5-bromopyrazolo[3,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide is CC(C)Nc1cc(-n2ncc3cc(Br)cnc32)ncc1C(=O)NC[C@@H](F)C(C)(C)O.

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

The InChIKey is SXZNJGZYTHGZCA-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24BrFN6O2/c1-11(2)27-15-6-17(28-18-12(7-26-28)5-13(21)8-24-18)23-9-14(15)19(29)25-10-16(22)20(3,4)30/h5-9,11,16,30H,10H2,1-4H3,(H,23,27)(H,25,29)/t16-/m1/s1.

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

6-(5-bromopyrazolo[3,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 479.35 g/mol, XLogP of 3.24, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-bromopyrazolo[3,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 118206138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).