4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]-2-methylmorpholine

C19H22ClN5O — CID 90288671

IUPAC4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]-2-methylmorpholine
SMILESCC1CN(CCCn2cc(-c3cnc4ccc(Cl)nc4c3)cn2)CCO1
InChIInChI=1S/C19H22ClN5O/c1-14-12-24(7-8-26-14)5-2-6-25-13-16(11-22-25)15-9-18-17(21-10-15)3-4-19(20)23-18/h3-4,9-11,13-14H,2,5-8,12H2,1H3
InChIKeyCMNGADPLNSVYNH-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.26
Rot. Bonds5

About 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]-2-methylmorpholine

4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]-2-methylmorpholine (PubChem CID 90288671) has the molecular formula C19H22ClN5O and a molecular weight of 371.87 g/mol. Its IUPAC name is 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]-2-methylmorpholine.

Molecular Properties

Compound Name4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]-2-methylmorpholine
PubChem CID90288671
Molecular FormulaC19H22ClN5O
Molecular Weight371.87 g/mol
Exact Mass371.15
IUPAC Name4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]-2-methylmorpholine
SMILESCC1CN(CCCn2cc(-c3cnc4ccc(Cl)nc4c3)cn2)CCO1
InChIInChI=1S/C19H22ClN5O/c1-14-12-24(7-8-26-14)5-2-6-25-13-16(11-22-25)15-9-18-17(21-10-15)3-4-19(20)23-18/h3-4,9-11,13-14H,2,5-8,12H2,1H3
InChIKeyCMNGADPLNSVYNH-UHFFFAOYSA-N
XLogP3.26
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.26
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)pyrazol-1-yl]propyl]-2-methylmorpholine?
The IUPAC name of 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]-2-methylmorpholine (CID 90288671) is 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]-2-methylmorpholine.
What is the SMILES notation for 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]-2-methylmorpholine?
The canonical SMILES for 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]-2-methylmorpholine is CC1CN(CCCn2cc(-c3cnc4ccc(Cl)nc4c3)cn2)CCO1.
What is the InChIKey of 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]-2-methylmorpholine?
The InChIKey is CMNGADPLNSVYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O/c1-14-12-24(7-8-26-14)5-2-6-25-13-16(11-22-25)15-9-18-17(21-10-15)3-4-19(20)23-18/h3-4,9-11,13-14H,2,5-8,12H2,1H3.
What are the key properties of 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]-2-methylmorpholine?
4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]-2-methylmorpholine has a molecular weight of 371.87 g/mol, XLogP of 3.26, 5 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)pyrazol-1-yl]propyl]-2-methylmorpholine is sourced from PubChem (CID 90288671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).