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

C25H34N6O4 — CID 118890475

IUPACtert-butyl N-[4-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]butyl]carbamate
SMILESC[C@@H]1COCCN1c1cc(OCCCCNC(=O)OC(C)(C)C)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C25H34N6O4/c1-17-16-33-14-12-31(17)21-15-20(34-13-6-5-9-27-24(32)35-25(2,3)4)18-7-10-26-23(22(18)29-21)19-8-11-28-30-19/h7-8,10-11,15,17H,5-6,9,12-14,16H2,1-4H3,(H,27,32)(H,28,30)/t17-/m1/s1
InChIKeyRWXKIAVXKWZWQI-QGZVFWFLSA-N
MW482.59 g/mol
LogP3.93
Rot. Bonds8

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

tert-butyl N-[4-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]butyl]carbamate (PubChem CID 118890475) has the molecular formula C25H34N6O4 and a molecular weight of 482.59 g/mol. Its IUPAC name is tert-butyl N-[4-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]butyl]carbamate
PubChem CID118890475
Molecular FormulaC25H34N6O4
Molecular Weight482.59 g/mol
Exact Mass482.26
IUPAC Nametert-butyl N-[4-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]butyl]carbamate
SMILESC[C@@H]1COCCN1c1cc(OCCCCNC(=O)OC(C)(C)C)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C25H34N6O4/c1-17-16-33-14-12-31(17)21-15-20(34-13-6-5-9-27-24(32)35-25(2,3)4)18-7-10-26-23(22(18)29-21)19-8-11-28-30-19/h7-8,10-11,15,17H,5-6,9,12-14,16H2,1-4H3,(H,27,32)(H,28,30)/t17-/m1/s1
InChIKeyRWXKIAVXKWZWQI-QGZVFWFLSA-N
XLogP3.93
TPSA114.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]butyl]carbamate?
The IUPAC name of tert-butyl N-[4-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]butyl]carbamate (CID 118890475) is tert-butyl N-[4-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-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-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]butyl]carbamate is C[C@@H]1COCCN1c1cc(OCCCCNC(=O)OC(C)(C)C)c2ccnc(-c3ccn[nH]3)c2n1.
What is the InChIKey of tert-butyl N-[4-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]butyl]carbamate?
The InChIKey is RWXKIAVXKWZWQI-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H34N6O4/c1-17-16-33-14-12-31(17)21-15-20(34-13-6-5-9-27-24(32)35-25(2,3)4)18-7-10-26-23(22(18)29-21)19-8-11-28-30-19/h7-8,10-11,15,17H,5-6,9,12-14,16H2,1-4H3,(H,27,32)(H,28,30)/t17-/m1/s1.
What are the key properties of tert-butyl N-[4-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]butyl]carbamate?
tert-butyl N-[4-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]butyl]carbamate has a molecular weight of 482.59 g/mol, XLogP of 3.93, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]butyl]carbamate is sourced from PubChem (CID 118890475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).