3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid

C27H28N6O4 — CID 134498348

IUPAC3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid
SMILESO=C(O)CC(c1cnc2c(c1)OCCN2)n1ncc2cc(OCCc3ccc4c(n3)NCCC4)ccc21
InChIInChI=1S/C27H28N6O4/c34-25(35)14-23(19-13-24-27(30-15-19)29-9-11-37-24)33-22-6-5-21(12-18(22)16-31-33)36-10-7-20-4-3-17-2-1-8-28-26(17)32-20/h3-6,12-13,15-16,23H,1-2,7-11,14H2,(H,28,32)(H,29,30)(H,34,35)
InChIKeyFKMGYZMPBIHKFW-UHFFFAOYSA-N
MW500.56 g/mol
LogP3.67
Rot. Bonds8

About 3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid

3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid (PubChem CID 134498348) has the molecular formula C27H28N6O4 and a molecular weight of 500.56 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid
PubChem CID134498348
Molecular FormulaC27H28N6O4
Molecular Weight500.56 g/mol
Exact Mass500.22
IUPAC Name3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid
SMILESO=C(O)CC(c1cnc2c(c1)OCCN2)n1ncc2cc(OCCc3ccc4c(n3)NCCC4)ccc21
InChIInChI=1S/C27H28N6O4/c34-25(35)14-23(19-13-24-27(30-15-19)29-9-11-37-24)33-22-6-5-21(12-18(22)16-31-33)36-10-7-20-4-3-17-2-1-8-28-26(17)32-20/h3-6,12-13,15-16,23H,1-2,7-11,14H2,(H,28,32)(H,29,30)(H,34,35)
InChIKeyFKMGYZMPBIHKFW-UHFFFAOYSA-N
XLogP3.67
TPSA123.42 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.56
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid?
The IUPAC name of 3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid (CID 134498348) is 3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid.
What is the SMILES notation for 3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid?
The canonical SMILES for 3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid is O=C(O)CC(c1cnc2c(c1)OCCN2)n1ncc2cc(OCCc3ccc4c(n3)NCCC4)ccc21.
What is the InChIKey of 3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid?
The InChIKey is FKMGYZMPBIHKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O4/c34-25(35)14-23(19-13-24-27(30-15-19)29-9-11-37-24)33-22-6-5-21(12-18(22)16-31-33)36-10-7-20-4-3-17-2-1-8-28-26(17)32-20/h3-6,12-13,15-16,23H,1-2,7-11,14H2,(H,28,32)(H,29,30)(H,34,35).
What are the key properties of 3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid?
3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid has a molecular weight of 500.56 g/mol, XLogP of 3.67, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid is sourced from PubChem (CID 134498348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).