6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-N-(3-hydroxycyclobutyl)-4-propan-2-yl-2,7-naphthyridine-1-carboxamide

C26H32FN7O3 — CID 166549849

About 6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-N-(3-hydroxycyclobutyl)-4-propan-2-yl-2,7-naphthyridine-1-carboxamide

6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-N-(3-hydroxycyclobutyl)-4-propan-2-yl-2,7-naphthyridine-1-carboxamide (PubChem CID 166549849) has the molecular formula C26H32FN7O3 and a molecular weight of 509.59 g/mol. Its IUPAC name is 6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-N-(3-hydroxycyclobutyl)-4-propan-2-yl-2,7-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: 6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-N-(3-hydroxycyclobutyl)-4-propan-2-yl-2,7-naphthyridine-1-carboxamide
• PubChem CID: 166549849
• Molecular Formula: C26H32FN7O3
• Molecular Weight: 509.59 g/mol
• Exact Mass: 509.26
• IUPAC Name: 6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-N-(3-hydroxycyclobutyl)-4-propan-2-yl-2,7-naphthyridine-1-carboxamide
• SMILES: CC(C)c1cnc(C(=O)NC2CC(O)C2)c2cnc(Nc3ccnc(N4CC[C@@H](O)[C@@](C)(F)C4)n3)cc12
• InChI: InChI=1S/C26H32FN7O3/c1-14(2)18-11-30-23(24(37)31-15-8-16(35)9-15)19-12-29-22(10-17(18)19)32-21-4-6-28-25(33-21)34-7-5-20(36)26(3,27)13-34/h4,6,10-12,14-16,20,35-36H,5,7-9,13H2,1-3H3,(H,31,37)(H,28,29,32,33)/t15?,16?,20-,26+/m1/s1
• InChIKey: WCVQFKMVICWDAA-DVMRWNFASA-N
• XLogP: 2.84
• TPSA: 136.39 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.59
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-N-(3-hydroxycyclobutyl)-4-propan-2-yl-2,7-naphthyridine-1-carboxamide?

The IUPAC name of 6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-N-(3-hydroxycyclobutyl)-4-propan-2-yl-2,7-naphthyridine-1-carboxamide (CID 166549849) is 6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-N-(3-hydroxycyclobutyl)-4-propan-2-yl-2,7-naphthyridine-1-carboxamide.

What is the SMILES notation for 6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-N-(3-hydroxycyclobutyl)-4-propan-2-yl-2,7-naphthyridine-1-carboxamide?

The canonical SMILES for 6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-N-(3-hydroxycyclobutyl)-4-propan-2-yl-2,7-naphthyridine-1-carboxamide is CC(C)c1cnc(C(=O)NC2CC(O)C2)c2cnc(Nc3ccnc(N4CC[C@@H](O)[C@@](C)(F)C4)n3)cc12.

What is the InChIKey of 6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-N-(3-hydroxycyclobutyl)-4-propan-2-yl-2,7-naphthyridine-1-carboxamide?

The InChIKey is WCVQFKMVICWDAA-DVMRWNFASA-N. The full InChI is InChI=1S/C26H32FN7O3/c1-14(2)18-11-30-23(24(37)31-15-8-16(35)9-15)19-12-29-22(10-17(18)19)32-21-4-6-28-25(33-21)34-7-5-20(36)26(3,27)13-34/h4,6,10-12,14-16,20,35-36H,5,7-9,13H2,1-3H3,(H,31,37)(H,28,29,32,33)/t15?,16?,20-,26+/m1/s1.

What are the key properties of 6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-N-(3-hydroxycyclobutyl)-4-propan-2-yl-2,7-naphthyridine-1-carboxamide?

6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-N-(3-hydroxycyclobutyl)-4-propan-2-yl-2,7-naphthyridine-1-carboxamide has a molecular weight of 509.59 g/mol, XLogP of 2.84, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-N-(3-hydroxycyclobutyl)-4-propan-2-yl-2,7-naphthyridine-1-carboxamide is sourced from PubChem (CID 166549849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).