2-[[6-chloro-4-[1-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]-2-pyridinyl]amino]ethanol

C15H19ClFN5O — CID 164869153

IUPAC2-[[6-chloro-4-[1-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]-2-pyridinyl]amino]ethanol
SMILESCn1cnnc1C(F)C1(c2cc(Cl)nc(NCCO)c2)CCC1
InChIInChI=1S/C15H19ClFN5O/c1-22-9-19-21-14(22)13(17)15(3-2-4-15)10-7-11(16)20-12(8-10)18-5-6-23/h7-9,13,23H,2-6H2,1H3,(H,18,20)
InChIKeyVPYLWWCGTGMNHT-UHFFFAOYSA-N
MW339.80 g/mol
LogP2.40
Rot. Bonds6

About 2-[[6-chloro-4-[1-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]-2-pyridinyl]amino]ethanol

2-[[6-chloro-4-[1-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]-2-pyridinyl]amino]ethanol (PubChem CID 164869153) has the molecular formula C15H19ClFN5O and a molecular weight of 339.80 g/mol. Its IUPAC name is 2-[[6-chloro-4-[1-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[[6-chloro-4-[1-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]-2-pyridinyl]amino]ethanol
PubChem CID164869153
Molecular FormulaC15H19ClFN5O
Molecular Weight339.80 g/mol
Exact Mass339.13
IUPAC Name2-[[6-chloro-4-[1-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]-2-pyridinyl]amino]ethanol
SMILESCn1cnnc1C(F)C1(c2cc(Cl)nc(NCCO)c2)CCC1
InChIInChI=1S/C15H19ClFN5O/c1-22-9-19-21-14(22)13(17)15(3-2-4-15)10-7-11(16)20-12(8-10)18-5-6-23/h7-9,13,23H,2-6H2,1H3,(H,18,20)
InChIKeyVPYLWWCGTGMNHT-UHFFFAOYSA-N
XLogP2.40
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[6-chloro-4-[1-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]-2-pyridinyl]amino]ethanol with MolForge

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Related Compounds

(2R)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-(4-methyl-1,2,4-triazol-3-yl)ethanol
CID 129558779
(2S)-2-[[5-chloro-4-[5-[1-(trifluoromethyl)cyclobutyl]-3,4,6,10-tetrazatricyclo[8.3.0.02,6]trideca-1(13),2,4,11-tetraen-12-yl]-2-pyridinyl]amino]propan-1-ol
CID 162620272
2,6-Dichloro-4-[3,3-difluoro-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]pyridine
CID 164869074
[1-(2,6-Dichloro-4-pyridinyl)-3,3-difluorocyclobutyl]-(4-methyl-1,2,4-triazol-3-yl)methanol
CID 164869354
2,6-Dichloro-4-[1-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]pyridine
CID 167404244
6-chloro-4-[3,3-difluoro-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]-N-ethylpyridin-2-amine
CID 167404405
6-chloro-N-ethyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridin-2-amine
CID 167421090
2,6-Dichloro-4-[3,3-difluoro-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]pyridine
CID 168262880
2,6-Dichloro-4-[3-fluoro-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]pyridine
CID 171854196
2-Chloro-4-[3,3-difluoro-1-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]pyridine
CID 172234453
[1-(2-Chloro-4-pyridinyl)-3,3-difluorocyclobutyl]-(4-methyl-1,2,4-triazol-3-yl)methanol
CID 172234473
4-[3,3-difluoro-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]-N-ethylpyridin-2-amine
CID 175776824

Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-4-[1-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]-2-pyridinyl]amino]ethanol?
The IUPAC name of 2-[[6-chloro-4-[1-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]-2-pyridinyl]amino]ethanol (CID 164869153) is 2-[[6-chloro-4-[1-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]-2-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[[6-chloro-4-[1-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]-2-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[[6-chloro-4-[1-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]-2-pyridinyl]amino]ethanol is Cn1cnnc1C(F)C1(c2cc(Cl)nc(NCCO)c2)CCC1.
What is the InChIKey of 2-[[6-chloro-4-[1-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]-2-pyridinyl]amino]ethanol?
The InChIKey is VPYLWWCGTGMNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN5O/c1-22-9-19-21-14(22)13(17)15(3-2-4-15)10-7-11(16)20-12(8-10)18-5-6-23/h7-9,13,23H,2-6H2,1H3,(H,18,20).
What are the key properties of 2-[[6-chloro-4-[1-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]-2-pyridinyl]amino]ethanol?
2-[[6-chloro-4-[1-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]-2-pyridinyl]amino]ethanol has a molecular weight of 339.80 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-4-[1-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 164869153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).