tert-butyl N-[2-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]ethyl]carbamate

C23H30N6O4 — CID 118890678

IUPACtert-butyl N-[2-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]ethyl]carbamate
SMILESC[C@@H]1COCCN1c1cc(OCCNC(=O)OC(C)(C)C)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C23H30N6O4/c1-15-14-31-12-10-29(15)19-13-18(32-11-9-25-22(30)33-23(2,3)4)16-5-7-24-21(20(16)27-19)17-6-8-26-28-17/h5-8,13,15H,9-12,14H2,1-4H3,(H,25,30)(H,26,28)/t15-/m1/s1
InChIKeyWTKBXCUGVIREAL-OAHLLOKOSA-N
MW454.53 g/mol
LogP3.15
Rot. Bonds6

About tert-butyl N-[2-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]ethyl]carbamate

tert-butyl N-[2-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]ethyl]carbamate (PubChem CID 118890678) has the molecular formula C23H30N6O4 and a molecular weight of 454.53 g/mol. Its IUPAC name is tert-butyl N-[2-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]ethyl]carbamate
PubChem CID118890678
Molecular FormulaC23H30N6O4
Molecular Weight454.53 g/mol
Exact Mass454.23
IUPAC Nametert-butyl N-[2-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]ethyl]carbamate
SMILESC[C@@H]1COCCN1c1cc(OCCNC(=O)OC(C)(C)C)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C23H30N6O4/c1-15-14-31-12-10-29(15)19-13-18(32-11-9-25-22(30)33-23(2,3)4)16-5-7-24-21(20(16)27-19)17-6-8-26-28-17/h5-8,13,15H,9-12,14H2,1-4H3,(H,25,30)(H,26,28)/t15-/m1/s1
InChIKeyWTKBXCUGVIREAL-OAHLLOKOSA-N
XLogP3.15
TPSA114.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]ethyl]carbamate with MolForge

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Related Compounds

Ly-2880070
CID 56968075
4-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine
CID 56940772
4-[6-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine
CID 56942076
2-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-4-isopropoxy-8-(1H-pyrazol-5-yl)-1,7-naphthyridine
CID 118869143
2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-4-isopropoxy-8-(1H-pyrazol-5-yl)-1,7-naphthyridine
CID 118869315
4-(1-Methylethoxy)-2-(4-morpholinyl)-8-(1H-pyrrol-3-yl)-1,7-naphthyridine
CID 118869331
US10772893, Example 41
CID 118869355
US10772893, Example 40
CID 118869375
US10772893, Example 67
CID 118869603
US10772893, Example 51
CID 118890650
N-propan-2-yl-2-[3-[4-[4-(1H-pyrazol-4-yl)anilino]pyrido[3,4-d]pyrimidin-2-yl]phenoxy]acetamide
CID 124159158
[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-3-yl]methanamine
CID 89914582

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]ethyl]carbamate (CID 118890678) is tert-butyl N-[2-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-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-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]ethyl]carbamate is C[C@@H]1COCCN1c1cc(OCCNC(=O)OC(C)(C)C)c2ccnc(-c3ccn[nH]3)c2n1.
What is the InChIKey of tert-butyl N-[2-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]ethyl]carbamate?
The InChIKey is WTKBXCUGVIREAL-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H30N6O4/c1-15-14-31-12-10-29(15)19-13-18(32-11-9-25-22(30)33-23(2,3)4)16-5-7-24-21(20(16)27-19)17-6-8-26-28-17/h5-8,13,15H,9-12,14H2,1-4H3,(H,25,30)(H,26,28)/t15-/m1/s1.
What are the key properties of tert-butyl N-[2-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]ethyl]carbamate?
tert-butyl N-[2-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]ethyl]carbamate has a molecular weight of 454.53 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]ethyl]carbamate is sourced from PubChem (CID 118890678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).