4-[4-[[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]morpholine

C21H25ClN6O — CID 90288795

IUPAC4-[4-[[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]morpholine
SMILESClc1ccc2ncc(-c3cnn(CC4CCN(N5CCOCC5)CC4)c3)cc2n1
InChIInChI=1S/C21H25ClN6O/c22-21-2-1-19-20(25-21)11-17(12-23-19)18-13-24-26(15-18)14-16-3-5-27(6-4-16)28-7-9-29-10-8-28/h1-2,11-13,15-16H,3-10,14H2
InChIKeyZZLQLEIJVUXRTA-UHFFFAOYSA-N
MW412.93 g/mol
LogP3.11
Rot. Bonds4

About 4-[4-[[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]morpholine

4-[4-[[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]morpholine (PubChem CID 90288795) has the molecular formula C21H25ClN6O and a molecular weight of 412.93 g/mol. Its IUPAC name is 4-[4-[[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]morpholine.

Molecular Properties

Compound Name4-[4-[[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]morpholine
PubChem CID90288795
Molecular FormulaC21H25ClN6O
Molecular Weight412.93 g/mol
Exact Mass412.18
IUPAC Name4-[4-[[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]morpholine
SMILESClc1ccc2ncc(-c3cnn(CC4CCN(N5CCOCC5)CC4)c3)cc2n1
InChIInChI=1S/C21H25ClN6O/c22-21-2-1-19-20(25-21)11-17(12-23-19)18-13-24-26(15-18)14-16-3-5-27(6-4-16)28-7-9-29-10-8-28/h1-2,11-13,15-16H,3-10,14H2
InChIKeyZZLQLEIJVUXRTA-UHFFFAOYSA-N
XLogP3.11
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.93
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-[4-[[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]morpholine?
The IUPAC name of 4-[4-[[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]morpholine (CID 90288795) is 4-[4-[[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]morpholine.
What is the SMILES notation for 4-[4-[[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]morpholine?
The canonical SMILES for 4-[4-[[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]morpholine is Clc1ccc2ncc(-c3cnn(CC4CCN(N5CCOCC5)CC4)c3)cc2n1.
What is the InChIKey of 4-[4-[[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]morpholine?
The InChIKey is ZZLQLEIJVUXRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN6O/c22-21-2-1-19-20(25-21)11-17(12-23-19)18-13-24-26(15-18)14-16-3-5-27(6-4-16)28-7-9-29-10-8-28/h1-2,11-13,15-16H,3-10,14H2.
What are the key properties of 4-[4-[[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]morpholine?
4-[4-[[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]morpholine has a molecular weight of 412.93 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]morpholine is sourced from PubChem (CID 90288795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).