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

C22H21ClF2N4O — CID 177212425

IUPAC4-[6-[2-[6-chloro-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-3-pyridinyl]morpholine;ethane
SMILESCC.FC(F)c1ncc(C#Cc2ccc(N3CCOCC3)cn2)c2cc(Cl)ncc12
InChIInChI=1S/C20H15ClF2N4O.C2H6/c21-18-9-16-13(10-26-19(20(22)23)17(16)12-25-18)1-2-14-3-4-15(11-24-14)27-5-7-28-8-6-27;1-2/h3-4,9-12,20H,5-8H2;1-2H3
InChIKeyUAUFPVBRCAXOIZ-UHFFFAOYSA-N
MW430.89 g/mol
LogP4.88
Rot. Bonds2

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

4-[6-[2-[6-chloro-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-3-pyridinyl]morpholine;ethane (PubChem CID 177212425) has the molecular formula C22H21ClF2N4O and a molecular weight of 430.89 g/mol. Its IUPAC name is 4-[6-[2-[6-chloro-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-3-pyridinyl]morpholine;ethane.

Molecular Properties

Compound Name4-[6-[2-[6-chloro-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-3-pyridinyl]morpholine;ethane
PubChem CID177212425
Molecular FormulaC22H21ClF2N4O
Molecular Weight430.89 g/mol
Exact Mass430.14
IUPAC Name4-[6-[2-[6-chloro-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-3-pyridinyl]morpholine;ethane
SMILESCC.FC(F)c1ncc(C#Cc2ccc(N3CCOCC3)cn2)c2cc(Cl)ncc12
InChIInChI=1S/C20H15ClF2N4O.C2H6/c21-18-9-16-13(10-26-19(20(22)23)17(16)12-25-18)1-2-14-3-4-15(11-24-14)27-5-7-28-8-6-27;1-2/h3-4,9-12,20H,5-8H2;1-2H3
InChIKeyUAUFPVBRCAXOIZ-UHFFFAOYSA-N
XLogP4.88
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.89
LogP ≤ 54.88
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]-5-fluoro-3-pyridinyl]morpholine
CID 177212916
(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
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
trimethyl-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]silane
CID 86259795
(2R,3R)-5-methyl-N-[8-methyl-5-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]-5-azaspiro[2.4]heptane-2-carboxamide
CID 177212540
5-morpholin-4-ylpyridine-2-carbonitrile
CID 43811106
cis-(1S,2S)-2-fluoro-N-[8-methyl-5-[2-[5-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide
CID 177212466
[6-[2-[6-(cyclopropanecarbonylamino)-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-4-morpholin-4-yl-3-pyridinyl]azanide;methanidyloxyethane;osmium
CID 177212881
8-methyl-N-[[(3R)-5-methyl-5-azaspiro[2.4]heptan-2-yl]methoxymethyl]-5-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-amine
CID 177212717
2-chloro-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-4-carboxamide
CID 33447939
N-[5-[2-[5-(3-fluoroazetidin-1-yl)-2-pyridinyl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 178121927
N-[5-[2-[5-(difluoromethyl)-2-pyridinyl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170677537

Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-[6-chloro-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-3-pyridinyl]morpholine;ethane?
The IUPAC name of 4-[6-[2-[6-chloro-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-3-pyridinyl]morpholine;ethane (CID 177212425) is 4-[6-[2-[6-chloro-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-3-pyridinyl]morpholine;ethane.
What is the SMILES notation for 4-[6-[2-[6-chloro-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-3-pyridinyl]morpholine;ethane?
The canonical SMILES for 4-[6-[2-[6-chloro-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-3-pyridinyl]morpholine;ethane is CC.FC(F)c1ncc(C#Cc2ccc(N3CCOCC3)cn2)c2cc(Cl)ncc12.
What is the InChIKey of 4-[6-[2-[6-chloro-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-3-pyridinyl]morpholine;ethane?
The InChIKey is UAUFPVBRCAXOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF2N4O.C2H6/c21-18-9-16-13(10-26-19(20(22)23)17(16)12-25-18)1-2-14-3-4-15(11-24-14)27-5-7-28-8-6-27;1-2/h3-4,9-12,20H,5-8H2;1-2H3.
What are the key properties of 4-[6-[2-[6-chloro-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-3-pyridinyl]morpholine;ethane?
4-[6-[2-[6-chloro-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-3-pyridinyl]morpholine;ethane has a molecular weight of 430.89 g/mol, XLogP of 4.88, 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]-3-pyridinyl]morpholine;ethane is sourced from PubChem (CID 177212425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).