3-[3-[2,2-difluoro-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid

C23H27F2N5O4 — CID 90311699

IUPAC3-[3-[2,2-difluoro-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid
SMILESCOc1ccc(C(CC(=O)O)N2CCN(CC(F)(F)Cc3ccc4c(n3)NCCC4)C2=O)cn1
InChIInChI=1S/C23H27F2N5O4/c1-34-19-7-5-16(13-27-19)18(11-20(31)32)30-10-9-29(22(30)33)14-23(24,25)12-17-6-4-15-3-2-8-26-21(15)28-17/h4-7,13,18H,2-3,8-12,14H2,1H3,(H,26,28)(H,31,32)
InChIKeyGTVKSQCCFHUOAO-UHFFFAOYSA-N
MW475.50 g/mol
LogP2.97
Rot. Bonds9

About 3-[3-[2,2-difluoro-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid

3-[3-[2,2-difluoro-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid (PubChem CID 90311699) has the molecular formula C23H27F2N5O4 and a molecular weight of 475.50 g/mol. Its IUPAC name is 3-[3-[2,2-difluoro-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-[3-[2,2-difluoro-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid
PubChem CID90311699
Molecular FormulaC23H27F2N5O4
Molecular Weight475.50 g/mol
Exact Mass475.20
IUPAC Name3-[3-[2,2-difluoro-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid
SMILESCOc1ccc(C(CC(=O)O)N2CCN(CC(F)(F)Cc3ccc4c(n3)NCCC4)C2=O)cn1
InChIInChI=1S/C23H27F2N5O4/c1-34-19-7-5-16(13-27-19)18(11-20(31)32)30-10-9-29(22(30)33)14-23(24,25)12-17-6-4-15-3-2-8-26-21(15)28-17/h4-7,13,18H,2-3,8-12,14H2,1H3,(H,26,28)(H,31,32)
InChIKeyGTVKSQCCFHUOAO-UHFFFAOYSA-N
XLogP2.97
TPSA107.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.50
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[3-[2,2-difluoro-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[2,2-difluoro-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid?
The IUPAC name of 3-[3-[2,2-difluoro-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid (CID 90311699) is 3-[3-[2,2-difluoro-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid.
What is the SMILES notation for 3-[3-[2,2-difluoro-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid?
The canonical SMILES for 3-[3-[2,2-difluoro-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid is COc1ccc(C(CC(=O)O)N2CCN(CC(F)(F)Cc3ccc4c(n3)NCCC4)C2=O)cn1.
What is the InChIKey of 3-[3-[2,2-difluoro-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid?
The InChIKey is GTVKSQCCFHUOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N5O4/c1-34-19-7-5-16(13-27-19)18(11-20(31)32)30-10-9-29(22(30)33)14-23(24,25)12-17-6-4-15-3-2-8-26-21(15)28-17/h4-7,13,18H,2-3,8-12,14H2,1H3,(H,26,28)(H,31,32).
What are the key properties of 3-[3-[2,2-difluoro-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid?
3-[3-[2,2-difluoro-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid has a molecular weight of 475.50 g/mol, XLogP of 2.97, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2,2-difluoro-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid is sourced from PubChem (CID 90311699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).