2-[2-[[4-[(3-methyl-7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetic acid

C25H30N6O5 — CID 175633179

IUPAC2-[2-[[4-[(3-methyl-7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetic acid
SMILESCc1cnc2cc(N3CCOCC3)nc(OC3CCC(Nc4ncc(OCC(=O)O)cn4)CC3)c2c1
InChIInChI=1S/C25H30N6O5/c1-16-10-20-21(26-12-16)11-22(31-6-8-34-9-7-31)30-24(20)36-18-4-2-17(3-5-18)29-25-27-13-19(14-28-25)35-15-23(32)33/h10-14,17-18H,2-9,15H2,1H3,(H,32,33)(H,27,28,29)
InChIKeyRILAAGHHZZONSC-UHFFFAOYSA-N
MW494.55 g/mol
LogP2.83
Rot. Bonds8

About 2-[2-[[4-[(3-methyl-7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetic acid

2-[2-[[4-[(3-methyl-7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetic acid (PubChem CID 175633179) has the molecular formula C25H30N6O5 and a molecular weight of 494.55 g/mol. Its IUPAC name is 2-[2-[[4-[(3-methyl-7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[2-[[4-[(3-methyl-7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetic acid
PubChem CID175633179
Molecular FormulaC25H30N6O5
Molecular Weight494.55 g/mol
Exact Mass494.23
IUPAC Name2-[2-[[4-[(3-methyl-7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetic acid
SMILESCc1cnc2cc(N3CCOCC3)nc(OC3CCC(Nc4ncc(OCC(=O)O)cn4)CC3)c2c1
InChIInChI=1S/C25H30N6O5/c1-16-10-20-21(26-12-16)11-22(31-6-8-34-9-7-31)30-24(20)36-18-4-2-17(3-5-18)29-25-27-13-19(14-28-25)35-15-23(32)33/h10-14,17-18H,2-9,15H2,1H3,(H,32,33)(H,27,28,29)
InChIKeyRILAAGHHZZONSC-UHFFFAOYSA-N
XLogP2.83
TPSA131.82 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.55
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-[(3-methyl-7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetic acid?
The IUPAC name of 2-[2-[[4-[(3-methyl-7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetic acid (CID 175633179) is 2-[2-[[4-[(3-methyl-7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetic acid.
What is the SMILES notation for 2-[2-[[4-[(3-methyl-7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetic acid?
The canonical SMILES for 2-[2-[[4-[(3-methyl-7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetic acid is Cc1cnc2cc(N3CCOCC3)nc(OC3CCC(Nc4ncc(OCC(=O)O)cn4)CC3)c2c1.
What is the InChIKey of 2-[2-[[4-[(3-methyl-7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetic acid?
The InChIKey is RILAAGHHZZONSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O5/c1-16-10-20-21(26-12-16)11-22(31-6-8-34-9-7-31)30-24(20)36-18-4-2-17(3-5-18)29-25-27-13-19(14-28-25)35-15-23(32)33/h10-14,17-18H,2-9,15H2,1H3,(H,32,33)(H,27,28,29).
What are the key properties of 2-[2-[[4-[(3-methyl-7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetic acid?
2-[2-[[4-[(3-methyl-7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetic acid has a molecular weight of 494.55 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-[(3-methyl-7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetic acid is sourced from PubChem (CID 175633179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).