N-ethyl-5-fluoro-2-[4-[6-[[6-[(1-methylpyrazol-3-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxy-N-propan-2-ylbenzamide

C35H41FN8O3 — CID 176924697

About N-ethyl-5-fluoro-2-[4-[6-[[6-[(1-methylpyrazol-3-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxy-N-propan-2-ylbenzamide

N-ethyl-5-fluoro-2-[4-[6-[[6-[(1-methylpyrazol-3-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxy-N-propan-2-ylbenzamide (PubChem CID 176924697) has the molecular formula C35H41FN8O3 and a molecular weight of 640.76 g/mol. Its IUPAC name is N-ethyl-5-fluoro-2-[4-[6-[[6-[(1-methylpyrazol-3-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxy-N-propan-2-ylbenzamide.

Molecular Properties

• Compound Name: N-ethyl-5-fluoro-2-[4-[6-[[6-[(1-methylpyrazol-3-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxy-N-propan-2-ylbenzamide
• PubChem CID: 176924697
• Molecular Formula: C35H41FN8O3
• Molecular Weight: 640.76 g/mol
• Exact Mass: 640.33
• IUPAC Name: N-ethyl-5-fluoro-2-[4-[6-[[6-[(1-methylpyrazol-3-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxy-N-propan-2-ylbenzamide
• SMILES: CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CC(Oc3ccnc4c3CN(Cc3ccn(C)n3)CC4)C2)C1)C(C)C
• InChI: InChI=1S/C35H41FN8O3/c1-5-44(23(2)3)34(45)27-14-24(36)6-7-30(27)47-32-17-37-22-39-33(32)43-20-35(21-43)15-26(16-35)46-31-8-11-38-29-10-13-42(19-28(29)31)18-25-9-12-41(4)40-25/h6-9,11-12,14,17,22-23,26H,5,10,13,15-16,18-21H2,1-4H3
• InChIKey: XNLAHZOLTLCOKD-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 101.74 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	640.76
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-2-[4-[6-[[6-[(1-methylpyrazol-3-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxy-N-propan-2-ylbenzamide?

The IUPAC name of N-ethyl-5-fluoro-2-[4-[6-[[6-[(1-methylpyrazol-3-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxy-N-propan-2-ylbenzamide (CID 176924697) is N-ethyl-5-fluoro-2-[4-[6-[[6-[(1-methylpyrazol-3-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxy-N-propan-2-ylbenzamide.

What is the SMILES notation for N-ethyl-5-fluoro-2-[4-[6-[[6-[(1-methylpyrazol-3-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxy-N-propan-2-ylbenzamide?

The canonical SMILES for N-ethyl-5-fluoro-2-[4-[6-[[6-[(1-methylpyrazol-3-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxy-N-propan-2-ylbenzamide is CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CC(Oc3ccnc4c3CN(Cc3ccn(C)n3)CC4)C2)C1)C(C)C.

What is the InChIKey of N-ethyl-5-fluoro-2-[4-[6-[[6-[(1-methylpyrazol-3-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxy-N-propan-2-ylbenzamide?

The InChIKey is XNLAHZOLTLCOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41FN8O3/c1-5-44(23(2)3)34(45)27-14-24(36)6-7-30(27)47-32-17-37-22-39-33(32)43-20-35(21-43)15-26(16-35)46-31-8-11-38-29-10-13-42(19-28(29)31)18-25-9-12-41(4)40-25/h6-9,11-12,14,17,22-23,26H,5,10,13,15-16,18-21H2,1-4H3.

What are the key properties of N-ethyl-5-fluoro-2-[4-[6-[[6-[(1-methylpyrazol-3-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxy-N-propan-2-ylbenzamide?

N-ethyl-5-fluoro-2-[4-[6-[[6-[(1-methylpyrazol-3-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxy-N-propan-2-ylbenzamide has a molecular weight of 640.76 g/mol, XLogP of 5.01, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-5-fluoro-2-[4-[6-[[6-[(1-methylpyrazol-3-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 176924697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).