4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-propylpyrazol-1-yl]propyl]morpholine

C21H26ClN5O — CID 90288224

IUPAC4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-propylpyrazol-1-yl]propyl]morpholine
SMILESCCCc1nn(CCCN2CCOCC2)cc1-c1cnc2ccc(Cl)nc2c1
InChIInChI=1S/C21H26ClN5O/c1-2-4-18-17(16-13-20-19(23-14-16)5-6-21(22)24-20)15-27(25-18)8-3-7-26-9-11-28-12-10-26/h5-6,13-15H,2-4,7-12H2,1H3
InChIKeyAOYJQYUWISYJCF-UHFFFAOYSA-N
MW399.93 g/mol
LogP3.82
Rot. Bonds7

About 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-propylpyrazol-1-yl]propyl]morpholine

4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-propylpyrazol-1-yl]propyl]morpholine (PubChem CID 90288224) has the molecular formula C21H26ClN5O and a molecular weight of 399.93 g/mol. Its IUPAC name is 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-propylpyrazol-1-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-propylpyrazol-1-yl]propyl]morpholine
PubChem CID90288224
Molecular FormulaC21H26ClN5O
Molecular Weight399.93 g/mol
Exact Mass399.18
IUPAC Name4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-propylpyrazol-1-yl]propyl]morpholine
SMILESCCCc1nn(CCCN2CCOCC2)cc1-c1cnc2ccc(Cl)nc2c1
InChIInChI=1S/C21H26ClN5O/c1-2-4-18-17(16-13-20-19(23-14-16)5-6-21(22)24-20)15-27(25-18)8-3-7-26-9-11-28-12-10-26/h5-6,13-15H,2-4,7-12H2,1H3
InChIKeyAOYJQYUWISYJCF-UHFFFAOYSA-N
XLogP3.82
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.93
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-propylpyrazol-1-yl]propyl]morpholine?
The IUPAC name of 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-propylpyrazol-1-yl]propyl]morpholine (CID 90288224) is 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-propylpyrazol-1-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-propylpyrazol-1-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-propylpyrazol-1-yl]propyl]morpholine is CCCc1nn(CCCN2CCOCC2)cc1-c1cnc2ccc(Cl)nc2c1.
What is the InChIKey of 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-propylpyrazol-1-yl]propyl]morpholine?
The InChIKey is AOYJQYUWISYJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN5O/c1-2-4-18-17(16-13-20-19(23-14-16)5-6-21(22)24-20)15-27(25-18)8-3-7-26-9-11-28-12-10-26/h5-6,13-15H,2-4,7-12H2,1H3.
What are the key properties of 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-propylpyrazol-1-yl]propyl]morpholine?
4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-propylpyrazol-1-yl]propyl]morpholine has a molecular weight of 399.93 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-propylpyrazol-1-yl]propyl]morpholine is sourced from PubChem (CID 90288224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).