ethyl 3-[3-fluoro-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]azetidin-3-yl]-3-(6-methoxy-3-pyridinyl)propanoate

C26H33FN4O4 — CID 134500515

IUPACethyl 3-[3-fluoro-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]azetidin-3-yl]-3-(6-methoxy-3-pyridinyl)propanoate
SMILESCCOC(=O)CC(c1ccc(OC)nc1)C1(F)CN(C(=O)CCCc2ccc3c(n2)NCCC3)C1
InChIInChI=1S/C26H33FN4O4/c1-3-35-24(33)14-21(19-10-12-22(34-2)29-15-19)26(27)16-31(17-26)23(32)8-4-7-20-11-9-18-6-5-13-28-25(18)30-20/h9-12,15,21H,3-8,13-14,16-17H2,1-2H3,(H,28,30)
InChIKeyQEGYQDPJLJZSAJ-UHFFFAOYSA-N
MW484.57 g/mol
LogP3.45
Rot. Bonds10

About ethyl 3-[3-fluoro-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]azetidin-3-yl]-3-(6-methoxy-3-pyridinyl)propanoate

ethyl 3-[3-fluoro-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]azetidin-3-yl]-3-(6-methoxy-3-pyridinyl)propanoate (PubChem CID 134500515) has the molecular formula C26H33FN4O4 and a molecular weight of 484.57 g/mol. Its IUPAC name is ethyl 3-[3-fluoro-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]azetidin-3-yl]-3-(6-methoxy-3-pyridinyl)propanoate.

Molecular Properties

Compound Nameethyl 3-[3-fluoro-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]azetidin-3-yl]-3-(6-methoxy-3-pyridinyl)propanoate
PubChem CID134500515
Molecular FormulaC26H33FN4O4
Molecular Weight484.57 g/mol
Exact Mass484.25
IUPAC Nameethyl 3-[3-fluoro-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]azetidin-3-yl]-3-(6-methoxy-3-pyridinyl)propanoate
SMILESCCOC(=O)CC(c1ccc(OC)nc1)C1(F)CN(C(=O)CCCc2ccc3c(n2)NCCC3)C1
InChIInChI=1S/C26H33FN4O4/c1-3-35-24(33)14-21(19-10-12-22(34-2)29-15-19)26(27)16-31(17-26)23(32)8-4-7-20-11-9-18-6-5-13-28-25(18)30-20/h9-12,15,21H,3-8,13-14,16-17H2,1-2H3,(H,28,30)
InChIKeyQEGYQDPJLJZSAJ-UHFFFAOYSA-N
XLogP3.45
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 3-[3-fluoro-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]azetidin-3-yl]-3-(6-methoxy-3-pyridinyl)propanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-fluoro-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]azetidin-3-yl]-3-(6-methoxy-3-pyridinyl)propanoate?
The IUPAC name of ethyl 3-[3-fluoro-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]azetidin-3-yl]-3-(6-methoxy-3-pyridinyl)propanoate (CID 134500515) is ethyl 3-[3-fluoro-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]azetidin-3-yl]-3-(6-methoxy-3-pyridinyl)propanoate.
What is the SMILES notation for ethyl 3-[3-fluoro-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]azetidin-3-yl]-3-(6-methoxy-3-pyridinyl)propanoate?
The canonical SMILES for ethyl 3-[3-fluoro-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]azetidin-3-yl]-3-(6-methoxy-3-pyridinyl)propanoate is CCOC(=O)CC(c1ccc(OC)nc1)C1(F)CN(C(=O)CCCc2ccc3c(n2)NCCC3)C1.
What is the InChIKey of ethyl 3-[3-fluoro-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]azetidin-3-yl]-3-(6-methoxy-3-pyridinyl)propanoate?
The InChIKey is QEGYQDPJLJZSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN4O4/c1-3-35-24(33)14-21(19-10-12-22(34-2)29-15-19)26(27)16-31(17-26)23(32)8-4-7-20-11-9-18-6-5-13-28-25(18)30-20/h9-12,15,21H,3-8,13-14,16-17H2,1-2H3,(H,28,30).
What are the key properties of ethyl 3-[3-fluoro-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]azetidin-3-yl]-3-(6-methoxy-3-pyridinyl)propanoate?
ethyl 3-[3-fluoro-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]azetidin-3-yl]-3-(6-methoxy-3-pyridinyl)propanoate has a molecular weight of 484.57 g/mol, XLogP of 3.45, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-fluoro-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]azetidin-3-yl]-3-(6-methoxy-3-pyridinyl)propanoate is sourced from PubChem (CID 134500515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).