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

C30H42N6O5 — CID 118890720

IUPACtert-butyl N-[4-[[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]oxy]butyl]carbamate
SMILESC[C@@H]1COCCN1c1cc(OCCCCNC(=O)OC(C)(C)C)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
InChIInChI=1S/C30H42N6O5/c1-21-20-38-18-15-35(21)25-19-24(39-16-8-6-12-32-29(37)41-30(2,3)4)22-10-13-31-28(27(22)34-25)23-11-14-33-36(23)26-9-5-7-17-40-26/h10-11,13-14,19,21,26H,5-9,12,15-18,20H2,1-4H3,(H,32,37)/t21-,26?/m1/s1
InChIKeyZWOYTDGCCRICIA-OSMGYRLQSA-N
MW566.70 g/mol
LogP5.10
Rot. Bonds9

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

tert-butyl N-[4-[[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]oxy]butyl]carbamate (PubChem CID 118890720) has the molecular formula C30H42N6O5 and a molecular weight of 566.70 g/mol. Its IUPAC name is tert-butyl N-[4-[[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]oxy]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]oxy]butyl]carbamate
PubChem CID118890720
Molecular FormulaC30H42N6O5
Molecular Weight566.70 g/mol
Exact Mass566.32
IUPAC Nametert-butyl N-[4-[[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]oxy]butyl]carbamate
SMILESC[C@@H]1COCCN1c1cc(OCCCCNC(=O)OC(C)(C)C)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
InChIInChI=1S/C30H42N6O5/c1-21-20-38-18-15-35(21)25-19-24(39-16-8-6-12-32-29(37)41-30(2,3)4)22-10-13-31-28(27(22)34-25)23-11-14-33-36(23)26-9-5-7-17-40-26/h10-11,13-14,19,21,26H,5-9,12,15-18,20H2,1-4H3,(H,32,37)/t21-,26?/m1/s1
InChIKeyZWOYTDGCCRICIA-OSMGYRLQSA-N
XLogP5.10
TPSA112.86 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.70
LogP ≤ 55.10
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-[4-[[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]oxy]butyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]oxy]butyl]carbamate?
The IUPAC name of tert-butyl N-[4-[[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]oxy]butyl]carbamate (CID 118890720) is tert-butyl N-[4-[[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]oxy]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]oxy]butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]oxy]butyl]carbamate is C[C@@H]1COCCN1c1cc(OCCCCNC(=O)OC(C)(C)C)c2ccnc(-c3ccnn3C3CCCCO3)c2n1.
What is the InChIKey of tert-butyl N-[4-[[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]oxy]butyl]carbamate?
The InChIKey is ZWOYTDGCCRICIA-OSMGYRLQSA-N. The full InChI is InChI=1S/C30H42N6O5/c1-21-20-38-18-15-35(21)25-19-24(39-16-8-6-12-32-29(37)41-30(2,3)4)22-10-13-31-28(27(22)34-25)23-11-14-33-36(23)26-9-5-7-17-40-26/h10-11,13-14,19,21,26H,5-9,12,15-18,20H2,1-4H3,(H,32,37)/t21-,26?/m1/s1.
What are the key properties of tert-butyl N-[4-[[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]oxy]butyl]carbamate?
tert-butyl N-[4-[[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]oxy]butyl]carbamate has a molecular weight of 566.70 g/mol, XLogP of 5.10, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]oxy]butyl]carbamate is sourced from PubChem (CID 118890720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).