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

C24H30F2N8O2 — CID 166550039

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

N-[(1R)-1-amino-2-fluoroethyl]-6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridine-1-carboxamide (PubChem CID 166550039) has the molecular formula C24H30F2N8O2 and a molecular weight of 500.55 g/mol. Its IUPAC name is N-[(1R)-1-amino-2-fluoroethyl]-6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-1-amino-2-fluoroethyl]-6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridine-1-carboxamide
• PubChem CID: 166550039
• Molecular Formula: C24H30F2N8O2
• Molecular Weight: 500.55 g/mol
• Exact Mass: 500.25
• IUPAC Name: N-[(1R)-1-amino-2-fluoroethyl]-6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridine-1-carboxamide
• SMILES: CC(C)c1cnc(C(=O)N[C@@H](N)CF)c2cnc(Nc3ccnc(N4CC[C@@H](O)[C@@](C)(F)C4)n3)cc12
• InChI: InChI=1S/C24H30F2N8O2/c1-13(2)15-10-30-21(22(36)31-18(27)9-25)16-11-29-20(8-14(15)16)32-19-4-6-28-23(33-19)34-7-5-17(35)24(3,26)12-34/h4,6,8,10-11,13,17-18,35H,5,7,9,12,27H2,1-3H3,(H,31,36)(H,28,29,32,33)/t17-,18-,24+/m1/s1
• InChIKey: YWXGYXKQOIUQIB-GGUMNFRJSA-N
• XLogP: 2.57
• TPSA: 142.18 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.55
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[(1R)-1-amino-2-fluoroethyl]-6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridine-1-carboxamide (CID 166550039) is N-[(1R)-1-amino-2-fluoroethyl]-6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridine-1-carboxamide.

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

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

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

The InChIKey is YWXGYXKQOIUQIB-GGUMNFRJSA-N. The full InChI is InChI=1S/C24H30F2N8O2/c1-13(2)15-10-30-21(22(36)31-18(27)9-25)16-11-29-20(8-14(15)16)32-19-4-6-28-23(33-19)34-7-5-17(35)24(3,26)12-34/h4,6,8,10-11,13,17-18,35H,5,7,9,12,27H2,1-3H3,(H,31,36)(H,28,29,32,33)/t17-,18-,24+/m1/s1.

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

N-[(1R)-1-amino-2-fluoroethyl]-6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridine-1-carboxamide has a molecular weight of 500.55 g/mol, XLogP of 2.57, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-amino-2-fluoroethyl]-6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridine-1-carboxamide is sourced from PubChem (CID 166550039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).