1-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol

C18H20ClN5O2 — CID 90289046

IUPAC1-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol
SMILESOC(CN1CCOCC1)Cn1cc(-c2cnc3ccc(Cl)nc3c2)cn1
InChIInChI=1S/C18H20ClN5O2/c19-18-2-1-16-17(22-18)7-13(8-20-16)14-9-21-24(10-14)12-15(25)11-23-3-5-26-6-4-23/h1-2,7-10,15,25H,3-6,11-12H2
InChIKeyYJQGTLJXJXQHEW-UHFFFAOYSA-N
MW373.84 g/mol
LogP1.84
Rot. Bonds5

About 1-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol

1-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol (PubChem CID 90289046) has the molecular formula C18H20ClN5O2 and a molecular weight of 373.84 g/mol. Its IUPAC name is 1-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol
PubChem CID90289046
Molecular FormulaC18H20ClN5O2
Molecular Weight373.84 g/mol
Exact Mass373.13
IUPAC Name1-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol
SMILESOC(CN1CCOCC1)Cn1cc(-c2cnc3ccc(Cl)nc3c2)cn1
InChIInChI=1S/C18H20ClN5O2/c19-18-2-1-16-17(22-18)7-13(8-20-16)14-9-21-24(10-14)12-15(25)11-23-3-5-26-6-4-23/h1-2,7-10,15,25H,3-6,11-12H2
InChIKeyYJQGTLJXJXQHEW-UHFFFAOYSA-N
XLogP1.84
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 51.84
H-Bond Donors ≤ 51
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 1-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol (CID 90289046) is 1-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol is OC(CN1CCOCC1)Cn1cc(-c2cnc3ccc(Cl)nc3c2)cn1.
What is the InChIKey of 1-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is YJQGTLJXJXQHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O2/c19-18-2-1-16-17(22-18)7-13(8-20-16)14-9-21-24(10-14)12-15(25)11-23-3-5-26-6-4-23/h1-2,7-10,15,25H,3-6,11-12H2.
What are the key properties of 1-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol?
1-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 373.84 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 90289046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).