(2R,6S)-4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propyl]-2,6-dimethylmorpholine

C21H26ClN5O — CID 90288481

IUPAC(2R,6S)-4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propyl]-2,6-dimethylmorpholine
SMILESCc1nn(CCCN2C[C@@H](C)O[C@@H](C)C2)cc1-c1cnc2ccc(Cl)nc2c1
InChIInChI=1S/C21H26ClN5O/c1-14-11-26(12-15(2)28-14)7-4-8-27-13-18(16(3)25-27)17-9-20-19(23-10-17)5-6-21(22)24-20/h5-6,9-10,13-15H,4,7-8,11-12H2,1-3H3/t14-,15+
InChIKeySUDLUXRADXTXSY-GASCZTMLSA-N
MW399.93 g/mol
LogP3.95
Rot. Bonds5

About (2R,6S)-4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propyl]-2,6-dimethylmorpholine

(2R,6S)-4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propyl]-2,6-dimethylmorpholine (PubChem CID 90288481) has the molecular formula C21H26ClN5O and a molecular weight of 399.93 g/mol. Its IUPAC name is (2R,6S)-4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propyl]-2,6-dimethylmorpholine
PubChem CID90288481
Molecular FormulaC21H26ClN5O
Molecular Weight399.93 g/mol
Exact Mass399.18
IUPAC Name(2R,6S)-4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propyl]-2,6-dimethylmorpholine
SMILESCc1nn(CCCN2C[C@@H](C)O[C@@H](C)C2)cc1-c1cnc2ccc(Cl)nc2c1
InChIInChI=1S/C21H26ClN5O/c1-14-11-26(12-15(2)28-14)7-4-8-27-13-18(16(3)25-27)17-9-20-19(23-10-17)5-6-21(22)24-20/h5-6,9-10,13-15H,4,7-8,11-12H2,1-3H3/t14-,15+
InChIKeySUDLUXRADXTXSY-GASCZTMLSA-N
XLogP3.95
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.93
LogP ≤ 53.95
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 (2R,6S)-4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propyl]-2,6-dimethylmorpholine?
The IUPAC name of (2R,6S)-4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propyl]-2,6-dimethylmorpholine (CID 90288481) is (2R,6S)-4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6S)-4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6S)-4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propyl]-2,6-dimethylmorpholine is Cc1nn(CCCN2C[C@@H](C)O[C@@H](C)C2)cc1-c1cnc2ccc(Cl)nc2c1.
What is the InChIKey of (2R,6S)-4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propyl]-2,6-dimethylmorpholine?
The InChIKey is SUDLUXRADXTXSY-GASCZTMLSA-N. The full InChI is InChI=1S/C21H26ClN5O/c1-14-11-26(12-15(2)28-14)7-4-8-27-13-18(16(3)25-27)17-9-20-19(23-10-17)5-6-21(22)24-20/h5-6,9-10,13-15H,4,7-8,11-12H2,1-3H3/t14-,15+.
What are the key properties of (2R,6S)-4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propyl]-2,6-dimethylmorpholine?
(2R,6S)-4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propyl]-2,6-dimethylmorpholine has a molecular weight of 399.93 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 90288481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).