N-ethyl-5-fluoro-2-[4-[6-[[6-[[(2R)-morpholin-2-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;hydrochloride

C35H45ClFN7O4 — CID 176925003

About N-ethyl-5-fluoro-2-[4-[6-[[6-[[(2R)-morpholin-2-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;hydrochloride

N-ethyl-5-fluoro-2-[4-[6-[[6-[[(2R)-morpholin-2-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;hydrochloride (PubChem CID 176925003) has the molecular formula C35H45ClFN7O4 and a molecular weight of 682.24 g/mol. Its IUPAC name is N-ethyl-5-fluoro-2-[4-[6-[[6-[[(2R)-morpholin-2-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;hydrochloride.

Molecular Properties

• Compound Name: N-ethyl-5-fluoro-2-[4-[6-[[6-[[(2R)-morpholin-2-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;hydrochloride
• PubChem CID: 176925003
• Molecular Formula: C35H45ClFN7O4
• Molecular Weight: 682.24 g/mol
• Exact Mass: 681.32
• IUPAC Name: N-ethyl-5-fluoro-2-[4-[6-[[6-[[(2R)-morpholin-2-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;hydrochloride
• SMILES: CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CC(Oc3ccnc4c3CN(C[C@H]3CNCCO3)CC4)C2)C1)C(C)C.Cl
• InChI: InChI=1S/C35H44FN7O4.ClH/c1-4-43(23(2)3)34(44)27-13-24(36)5-6-30(27)47-32-17-38-22-40-33(32)42-20-35(21-42)14-25(15-35)46-31-7-9-39-29-8-11-41(19-28(29)31)18-26-16-37-10-12-45-26;/h5-7,9,13,17,22-23,25-26,37H,4,8,10-12,14-16,18-21H2,1-3H3;1H/t26-;/m1./s1
• InChIKey: QPJPJHNLASKHAR-UFTMZEDQSA-N
• XLogP: 4.49
• TPSA: 105.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	682.24
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-2-[4-[6-[[6-[[(2R)-morpholin-2-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;hydrochloride?

The IUPAC name of N-ethyl-5-fluoro-2-[4-[6-[[6-[[(2R)-morpholin-2-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;hydrochloride (CID 176925003) is N-ethyl-5-fluoro-2-[4-[6-[[6-[[(2R)-morpholin-2-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;hydrochloride.

What is the SMILES notation for N-ethyl-5-fluoro-2-[4-[6-[[6-[[(2R)-morpholin-2-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;hydrochloride?

The canonical SMILES for N-ethyl-5-fluoro-2-[4-[6-[[6-[[(2R)-morpholin-2-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;hydrochloride is CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CC(Oc3ccnc4c3CN(C[C@H]3CNCCO3)CC4)C2)C1)C(C)C.Cl.

What is the InChIKey of N-ethyl-5-fluoro-2-[4-[6-[[6-[[(2R)-morpholin-2-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;hydrochloride?

The InChIKey is QPJPJHNLASKHAR-UFTMZEDQSA-N. The full InChI is InChI=1S/C35H44FN7O4.ClH/c1-4-43(23(2)3)34(44)27-13-24(36)5-6-30(27)47-32-17-38-22-40-33(32)42-20-35(21-42)14-25(15-35)46-31-7-9-39-29-8-11-41(19-28(29)31)18-26-16-37-10-12-45-26;/h5-7,9,13,17,22-23,25-26,37H,4,8,10-12,14-16,18-21H2,1-3H3;1H/t26-;/m1./s1.

What are the key properties of N-ethyl-5-fluoro-2-[4-[6-[[6-[[(2R)-morpholin-2-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;hydrochloride?

N-ethyl-5-fluoro-2-[4-[6-[[6-[[(2R)-morpholin-2-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;hydrochloride has a molecular weight of 682.24 g/mol, XLogP of 4.49, 10 rotatable bonds, 1 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-[[(2R)-morpholin-2-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;hydrochloride is sourced from PubChem (CID 176925003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).