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

C19H22ClN5O — CID 90288277

IUPAC4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propyl]morpholine
SMILESCc1nn(CCCN2CCOCC2)cc1-c1cnc2ccc(Cl)nc2c1
InChIInChI=1S/C19H22ClN5O/c1-14-16(15-11-18-17(21-12-15)3-4-19(20)22-18)13-25(23-14)6-2-5-24-7-9-26-10-8-24/h3-4,11-13H,2,5-10H2,1H3
InChIKeyZGJHGZHKPRDCDD-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.18
Rot. Bonds5

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

4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propyl]morpholine (PubChem CID 90288277) 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)-3-methylpyrazol-1-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propyl]morpholine
PubChem CID90288277
Molecular FormulaC19H22ClN5O
Molecular Weight371.87 g/mol
Exact Mass371.15
IUPAC Name4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propyl]morpholine
SMILESCc1nn(CCCN2CCOCC2)cc1-c1cnc2ccc(Cl)nc2c1
InChIInChI=1S/C19H22ClN5O/c1-14-16(15-11-18-17(21-12-15)3-4-19(20)22-18)13-25(23-14)6-2-5-24-7-9-26-10-8-24/h3-4,11-13H,2,5-10H2,1H3
InChIKeyZGJHGZHKPRDCDD-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
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-methylpyrazol-1-yl]propyl]morpholine?
The IUPAC name of 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propyl]morpholine (CID 90288277) is 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propyl]morpholine is Cc1nn(CCCN2CCOCC2)cc1-c1cnc2ccc(Cl)nc2c1.
What is the InChIKey of 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propyl]morpholine?
The InChIKey is ZGJHGZHKPRDCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O/c1-14-16(15-11-18-17(21-12-15)3-4-19(20)22-18)13-25(23-14)6-2-5-24-7-9-26-10-8-24/h3-4,11-13H,2,5-10H2,1H3.
What are the key properties of 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propyl]morpholine?
4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propyl]morpholine has a molecular weight of 371.87 g/mol, XLogP of 3.18, 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)-3-methylpyrazol-1-yl]propyl]morpholine is sourced from PubChem (CID 90288277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).