4-[6-[2-[6-chloro-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-5-fluoro-3-pyridinyl]morpholine

C20H14ClF3N4O — CID 177212916

IUPAC4-[6-[2-[6-chloro-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-5-fluoro-3-pyridinyl]morpholine
SMILESFc1cc(N2CCOCC2)cnc1C#Cc1cnc(C(F)F)c2cnc(Cl)cc12
InChIInChI=1S/C20H14ClF3N4O/c21-18-8-14-12(9-27-19(20(23)24)15(14)11-26-18)1-2-17-16(22)7-13(10-25-17)28-3-5-29-6-4-28/h7-11,20H,3-6H2
InChIKeySFTBNHVBEXBLIT-UHFFFAOYSA-N
MW418.81 g/mol
LogP3.99
Rot. Bonds2

About 4-[6-[2-[6-chloro-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-5-fluoro-3-pyridinyl]morpholine

4-[6-[2-[6-chloro-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-5-fluoro-3-pyridinyl]morpholine (PubChem CID 177212916) has the molecular formula C20H14ClF3N4O and a molecular weight of 418.81 g/mol. Its IUPAC name is 4-[6-[2-[6-chloro-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-5-fluoro-3-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[6-[2-[6-chloro-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-5-fluoro-3-pyridinyl]morpholine
PubChem CID177212916
Molecular FormulaC20H14ClF3N4O
Molecular Weight418.81 g/mol
Exact Mass418.08
IUPAC Name4-[6-[2-[6-chloro-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-5-fluoro-3-pyridinyl]morpholine
SMILESFc1cc(N2CCOCC2)cnc1C#Cc1cnc(C(F)F)c2cnc(Cl)cc12
InChIInChI=1S/C20H14ClF3N4O/c21-18-8-14-12(9-27-19(20(23)24)15(14)11-26-18)1-2-17-16(22)7-13(10-25-17)28-3-5-29-6-4-28/h7-11,20H,3-6H2
InChIKeySFTBNHVBEXBLIT-UHFFFAOYSA-N
XLogP3.99
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.81
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-[6-[2-[6-chloro-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-3-pyridinyl]morpholine;ethane
CID 177212425
(2S,3S)-N-[8-(difluoromethyl)-5-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]-5-methyl-5-azaspiro[2.4]heptane-2-carboxamide
CID 177212703
[6-[2-[6-(cyclopropanecarbonylamino)-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-4-morpholin-4-yl-3-pyridinyl]azanide;methanidyloxyethane;osmium
CID 177212881
2-chloro-5-morpholin-4-ylpyridin-3-amine
CID 59631039
[1-[2-chloro-5-[2-(4-methyloxan-4-yl)ethynyl]-4-pyridinyl]-4-methylpiperidin-4-yl]methanol
CID 167427365
cis-(1R,2R)-2-fluoro-N-[8-methyl-5-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide
CID 177212781
2-chloro-4-(4-fluoropiperidin-1-yl)-5-[2-[1-(oxan-4-yl)pyrazol-4-yl]ethynyl]pyridine
CID 167426836
3-(4-methoxy-N-methylanilino)-5-morpholin-4-ylpyridine-2-carbonitrile
CID 175107019
4-[4-(2-chloro-4-pyridinyl)piperazin-1-yl]sulfonylmorpholine
CID 133373516
4-(2,6-dichloro-4-pyridinyl)morpholine;2,4,6-trichloropyridine
CID 159726941
2,6-difluoro-4-morpholin-4-ylbenzoic acid;ethane
CID 170587481
1-[2-chloro-5-[2-[5-(morpholin-4-ylmethyl)pyrimidin-2-yl]ethynyl]-4-pyridinyl]-4-methylpiperidin-4-ol
CID 167426702

Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-[6-chloro-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-5-fluoro-3-pyridinyl]morpholine?
The IUPAC name of 4-[6-[2-[6-chloro-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-5-fluoro-3-pyridinyl]morpholine (CID 177212916) is 4-[6-[2-[6-chloro-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-5-fluoro-3-pyridinyl]morpholine.
What is the SMILES notation for 4-[6-[2-[6-chloro-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-5-fluoro-3-pyridinyl]morpholine?
The canonical SMILES for 4-[6-[2-[6-chloro-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-5-fluoro-3-pyridinyl]morpholine is Fc1cc(N2CCOCC2)cnc1C#Cc1cnc(C(F)F)c2cnc(Cl)cc12.
What is the InChIKey of 4-[6-[2-[6-chloro-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-5-fluoro-3-pyridinyl]morpholine?
The InChIKey is SFTBNHVBEXBLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N4O/c21-18-8-14-12(9-27-19(20(23)24)15(14)11-26-18)1-2-17-16(22)7-13(10-25-17)28-3-5-29-6-4-28/h7-11,20H,3-6H2.
What are the key properties of 4-[6-[2-[6-chloro-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-5-fluoro-3-pyridinyl]morpholine?
4-[6-[2-[6-chloro-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-5-fluoro-3-pyridinyl]morpholine has a molecular weight of 418.81 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-[6-chloro-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-5-fluoro-3-pyridinyl]morpholine is sourced from PubChem (CID 177212916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).