2-[[5-chloro-4-[5-[(3-fluorophenyl)methylamino]-3-pyridinyl]-2-pyridinyl]amino]ethanol

C19H18ClFN4O — CID 134148638

IUPAC2-[[5-chloro-4-[5-[(3-fluorophenyl)methylamino]-3-pyridinyl]-2-pyridinyl]amino]ethanol
SMILESOCCNc1cc(-c2cncc(NCc3cccc(F)c3)c2)c(Cl)cn1
InChIInChI=1S/C19H18ClFN4O/c20-18-12-25-19(23-4-5-26)8-17(18)14-7-16(11-22-10-14)24-9-13-2-1-3-15(21)6-13/h1-3,6-8,10-12,24,26H,4-5,9H2,(H,23,25)
InChIKeyHFDKKSOKCNZLGJ-UHFFFAOYSA-N
MW372.83 g/mol
LogP3.95
Rot. Bonds7

About 2-[[5-chloro-4-[5-[(3-fluorophenyl)methylamino]-3-pyridinyl]-2-pyridinyl]amino]ethanol

2-[[5-chloro-4-[5-[(3-fluorophenyl)methylamino]-3-pyridinyl]-2-pyridinyl]amino]ethanol (PubChem CID 134148638) has the molecular formula C19H18ClFN4O and a molecular weight of 372.83 g/mol. Its IUPAC name is 2-[[5-chloro-4-[5-[(3-fluorophenyl)methylamino]-3-pyridinyl]-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[[5-chloro-4-[5-[(3-fluorophenyl)methylamino]-3-pyridinyl]-2-pyridinyl]amino]ethanol
PubChem CID134148638
Molecular FormulaC19H18ClFN4O
Molecular Weight372.83 g/mol
Exact Mass372.12
IUPAC Name2-[[5-chloro-4-[5-[(3-fluorophenyl)methylamino]-3-pyridinyl]-2-pyridinyl]amino]ethanol
SMILESOCCNc1cc(-c2cncc(NCc3cccc(F)c3)c2)c(Cl)cn1
InChIInChI=1S/C19H18ClFN4O/c20-18-12-25-19(23-4-5-26)8-17(18)14-7-16(11-22-10-14)24-9-13-2-1-3-15(21)6-13/h1-3,6-8,10-12,24,26H,4-5,9H2,(H,23,25)
InChIKeyHFDKKSOKCNZLGJ-UHFFFAOYSA-N
XLogP3.95
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-4-[5-[(3-fluorophenyl)methylamino]-3-pyridinyl]-2-pyridinyl]amino]ethanol?
The IUPAC name of 2-[[5-chloro-4-[5-[(3-fluorophenyl)methylamino]-3-pyridinyl]-2-pyridinyl]amino]ethanol (CID 134148638) is 2-[[5-chloro-4-[5-[(3-fluorophenyl)methylamino]-3-pyridinyl]-2-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[[5-chloro-4-[5-[(3-fluorophenyl)methylamino]-3-pyridinyl]-2-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[[5-chloro-4-[5-[(3-fluorophenyl)methylamino]-3-pyridinyl]-2-pyridinyl]amino]ethanol is OCCNc1cc(-c2cncc(NCc3cccc(F)c3)c2)c(Cl)cn1.
What is the InChIKey of 2-[[5-chloro-4-[5-[(3-fluorophenyl)methylamino]-3-pyridinyl]-2-pyridinyl]amino]ethanol?
The InChIKey is HFDKKSOKCNZLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN4O/c20-18-12-25-19(23-4-5-26)8-17(18)14-7-16(11-22-10-14)24-9-13-2-1-3-15(21)6-13/h1-3,6-8,10-12,24,26H,4-5,9H2,(H,23,25).
What are the key properties of 2-[[5-chloro-4-[5-[(3-fluorophenyl)methylamino]-3-pyridinyl]-2-pyridinyl]amino]ethanol?
2-[[5-chloro-4-[5-[(3-fluorophenyl)methylamino]-3-pyridinyl]-2-pyridinyl]amino]ethanol has a molecular weight of 372.83 g/mol, XLogP of 3.95, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-4-[5-[(3-fluorophenyl)methylamino]-3-pyridinyl]-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 134148638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).