tert-butyl N-[2-[[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]oxy]ethyl]carbamate

C28H38N6O5 — CID 118890780

IUPACtert-butyl N-[2-[[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]oxy]ethyl]carbamate
SMILESC[C@@H]1COCCN1c1cc(OCCNC(=O)OC(C)(C)C)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
InChIInChI=1S/C28H38N6O5/c1-19-18-36-16-13-33(19)23-17-22(37-15-12-30-27(35)39-28(2,3)4)20-8-10-29-26(25(20)32-23)21-9-11-31-34(21)24-7-5-6-14-38-24/h8-11,17,19,24H,5-7,12-16,18H2,1-4H3,(H,30,35)/t19-,24?/m1/s1
InChIKeyFZDIQDWMFDIKAS-PHSANKKPSA-N
MW538.65 g/mol
LogP4.32
Rot. Bonds7

About tert-butyl N-[2-[[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]oxy]ethyl]carbamate

tert-butyl N-[2-[[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]oxy]ethyl]carbamate (PubChem CID 118890780) has the molecular formula C28H38N6O5 and a molecular weight of 538.65 g/mol. Its IUPAC name is tert-butyl N-[2-[[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]oxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]oxy]ethyl]carbamate
PubChem CID118890780
Molecular FormulaC28H38N6O5
Molecular Weight538.65 g/mol
Exact Mass538.29
IUPAC Nametert-butyl N-[2-[[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]oxy]ethyl]carbamate
SMILESC[C@@H]1COCCN1c1cc(OCCNC(=O)OC(C)(C)C)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
InChIInChI=1S/C28H38N6O5/c1-19-18-36-16-13-33(19)23-17-22(37-15-12-30-27(35)39-28(2,3)4)20-8-10-29-26(25(20)32-23)21-9-11-31-34(21)24-7-5-6-14-38-24/h8-11,17,19,24H,5-7,12-16,18H2,1-4H3,(H,30,35)/t19-,24?/m1/s1
InChIKeyFZDIQDWMFDIKAS-PHSANKKPSA-N
XLogP4.32
TPSA112.86 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.65
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl N-[2-[[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]oxy]ethyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]oxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]oxy]ethyl]carbamate (CID 118890780) is tert-butyl N-[2-[[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]oxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]oxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]oxy]ethyl]carbamate is C[C@@H]1COCCN1c1cc(OCCNC(=O)OC(C)(C)C)c2ccnc(-c3ccnn3C3CCCCO3)c2n1.
What is the InChIKey of tert-butyl N-[2-[[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]oxy]ethyl]carbamate?
The InChIKey is FZDIQDWMFDIKAS-PHSANKKPSA-N. The full InChI is InChI=1S/C28H38N6O5/c1-19-18-36-16-13-33(19)23-17-22(37-15-12-30-27(35)39-28(2,3)4)20-8-10-29-26(25(20)32-23)21-9-11-31-34(21)24-7-5-6-14-38-24/h8-11,17,19,24H,5-7,12-16,18H2,1-4H3,(H,30,35)/t19-,24?/m1/s1.
What are the key properties of tert-butyl N-[2-[[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]oxy]ethyl]carbamate?
tert-butyl N-[2-[[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]oxy]ethyl]carbamate has a molecular weight of 538.65 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]oxy]ethyl]carbamate is sourced from PubChem (CID 118890780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).