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

C24H32N6O4 — CID 122595672

IUPACtert-butyl N-[3-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propyl]carbamate
SMILESC[C@@H]1COCCN1c1cc(OCCCNC(=O)OC(C)(C)C)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C24H32N6O4/c1-16-15-32-13-11-30(16)20-14-19(33-12-5-8-26-23(31)34-24(2,3)4)17-6-9-25-22(21(17)28-20)18-7-10-27-29-18/h6-7,9-10,14,16H,5,8,11-13,15H2,1-4H3,(H,26,31)(H,27,29)/t16-/m1/s1
InChIKeyCJHGCQZKVOGEKW-MRXNPFEDSA-N
MW468.56 g/mol
LogP3.54
Rot. Bonds7

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

tert-butyl N-[3-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propyl]carbamate (PubChem CID 122595672) has the molecular formula C24H32N6O4 and a molecular weight of 468.56 g/mol. Its IUPAC name is tert-butyl N-[3-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propyl]carbamate
PubChem CID122595672
Molecular FormulaC24H32N6O4
Molecular Weight468.56 g/mol
Exact Mass468.25
IUPAC Nametert-butyl N-[3-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propyl]carbamate
SMILESC[C@@H]1COCCN1c1cc(OCCCNC(=O)OC(C)(C)C)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C24H32N6O4/c1-16-15-32-13-11-30(16)20-14-19(33-12-5-8-26-23(31)34-24(2,3)4)17-6-9-25-22(21(17)28-20)18-7-10-27-29-18/h6-7,9-10,14,16H,5,8,11-13,15H2,1-4H3,(H,26,31)(H,27,29)/t16-/m1/s1
InChIKeyCJHGCQZKVOGEKW-MRXNPFEDSA-N
XLogP3.54
TPSA114.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 53.54
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-[3-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propyl]carbamate (CID 122595672) is tert-butyl N-[3-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propyl]carbamate is C[C@@H]1COCCN1c1cc(OCCCNC(=O)OC(C)(C)C)c2ccnc(-c3ccn[nH]3)c2n1.
What is the InChIKey of tert-butyl N-[3-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propyl]carbamate?
The InChIKey is CJHGCQZKVOGEKW-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H32N6O4/c1-16-15-32-13-11-30(16)20-14-19(33-12-5-8-26-23(31)34-24(2,3)4)17-6-9-25-22(21(17)28-20)18-7-10-27-29-18/h6-7,9-10,14,16H,5,8,11-13,15H2,1-4H3,(H,26,31)(H,27,29)/t16-/m1/s1.
What are the key properties of tert-butyl N-[3-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propyl]carbamate?
tert-butyl N-[3-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propyl]carbamate has a molecular weight of 468.56 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propyl]carbamate is sourced from PubChem (CID 122595672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).