4-[4-(5-chloro-2-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

C20H16ClFN6O — CID 122585583

IUPAC4-[4-(5-chloro-2-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESFc1ncc(Cl)cc1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C20H16ClFN6O/c21-12-9-15(20(22)24-11-12)14-10-17(28-5-7-29-8-6-28)26-18-13(14)1-3-23-19(18)16-2-4-25-27-16/h1-4,9-11H,5-8H2,(H,25,27)
InChIKeyVWJLILPORZONRS-UHFFFAOYSA-N
MW410.84 g/mol
LogP3.71
Rot. Bonds3

About 4-[4-(5-chloro-2-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

4-[4-(5-chloro-2-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 122585583) has the molecular formula C20H16ClFN6O and a molecular weight of 410.84 g/mol. Its IUPAC name is 4-[4-(5-chloro-2-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(5-chloro-2-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID122585583
Molecular FormulaC20H16ClFN6O
Molecular Weight410.84 g/mol
Exact Mass410.11
IUPAC Name4-[4-(5-chloro-2-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESFc1ncc(Cl)cc1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C20H16ClFN6O/c21-12-9-15(20(22)24-11-12)14-10-17(28-5-7-29-8-6-28)26-18-13(14)1-3-23-19(18)16-2-4-25-27-16/h1-4,9-11H,5-8H2,(H,25,27)
InChIKeyVWJLILPORZONRS-UHFFFAOYSA-N
XLogP3.71
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.84
LogP ≤ 53.71
H-Bond Donors ≤ 51
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-[4-(5-chloro-2-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of 4-[4-(5-chloro-2-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 122585583) is 4-[4-(5-chloro-2-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(5-chloro-2-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for 4-[4-(5-chloro-2-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is Fc1ncc(Cl)cc1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12.
What is the InChIKey of 4-[4-(5-chloro-2-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is VWJLILPORZONRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN6O/c21-12-9-15(20(22)24-11-12)14-10-17(28-5-7-29-8-6-28)26-18-13(14)1-3-23-19(18)16-2-4-25-27-16/h1-4,9-11H,5-8H2,(H,25,27).
What are the key properties of 4-[4-(5-chloro-2-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
4-[4-(5-chloro-2-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 410.84 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-chloro-2-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 122585583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).