3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(3,5-dimethyl-1H-pyrazol-4-yl)pyridin-2-amine

C18H18ClFN4O — CID 146185139

IUPAC3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(3,5-dimethyl-1H-pyrazol-4-yl)pyridin-2-amine
SMILESCc1n[nH]c(C)c1-c1cnc(N)c(OC(C)c2cc(F)ccc2Cl)c1
InChIInChI=1S/C18H18ClFN4O/c1-9-17(10(2)24-23-9)12-6-16(18(21)22-8-12)25-11(3)14-7-13(20)4-5-15(14)19/h4-8,11H,1-3H3,(H2,21,22)(H,23,24)
InChIKeyBKZJYVBOSGYYNH-UHFFFAOYSA-N
MW360.82 g/mol
LogP4.60
Rot. Bonds4

About 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(3,5-dimethyl-1H-pyrazol-4-yl)pyridin-2-amine

3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(3,5-dimethyl-1H-pyrazol-4-yl)pyridin-2-amine (PubChem CID 146185139) has the molecular formula C18H18ClFN4O and a molecular weight of 360.82 g/mol. Its IUPAC name is 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(3,5-dimethyl-1H-pyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(3,5-dimethyl-1H-pyrazol-4-yl)pyridin-2-amine
PubChem CID146185139
Molecular FormulaC18H18ClFN4O
Molecular Weight360.82 g/mol
Exact Mass360.12
IUPAC Name3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(3,5-dimethyl-1H-pyrazol-4-yl)pyridin-2-amine
SMILESCc1n[nH]c(C)c1-c1cnc(N)c(OC(C)c2cc(F)ccc2Cl)c1
InChIInChI=1S/C18H18ClFN4O/c1-9-17(10(2)24-23-9)12-6-16(18(21)22-8-12)25-11(3)14-7-13(20)4-5-15(14)19/h4-8,11H,1-3H3,(H2,21,22)(H,23,24)
InChIKeyBKZJYVBOSGYYNH-UHFFFAOYSA-N
XLogP4.60
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(3,5-dimethyl-1H-pyrazol-4-yl)pyridin-2-amine with MolForge

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Related Compounds

5-bromo-3-[(1S)-1-(2-chloro-5-fluorophenyl)ethoxy]pyridin-2-amine
CID 129395748
5-bromo-3-[(1R)-1-(2-chloro-5-fluorophenyl)ethoxy]pyridin-2-amine
CID 129395746
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-fluorophenyl)pyridin-2-amine
CID 21110796
4-[[4-[6-amino-5-[1-(2-chloro-5-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]methyl]piperidin-4-ol
CID 58659124
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine
CID 54579007
5-bromo-3-[(1R)-1-(2-chlorophenyl)ethoxy]pyridin-2-amine
CID 164858696
2-[1-[(2-amino-5-phenyl-3-pyridinyl)oxy]ethyl]-3-chloro-6-fluorophenol
CID 143190350
5-(6-bromo-3-pyridinyl)-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
CID 59599434
5-(5-chloro-2-methoxy-4-piperazin-1-ylphenyl)-3-[1-[5-fluoro-2-(trifluoromethyl)phenyl]ethoxy]pyridin-2-amine
CID 118639758
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[4-(dimethylamino)phenyl]pyridin-2-amine
CID 21110793
2-[1-[[2-amino-5-(4-hydroxyphenyl)-3-pyridinyl]oxy]ethyl]-3-chloro-6-methylphenol
CID 143190230
3-[(1S)-1-(5-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine
CID 129390734

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(3,5-dimethyl-1H-pyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(3,5-dimethyl-1H-pyrazol-4-yl)pyridin-2-amine (CID 146185139) is 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(3,5-dimethyl-1H-pyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(3,5-dimethyl-1H-pyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(3,5-dimethyl-1H-pyrazol-4-yl)pyridin-2-amine is Cc1n[nH]c(C)c1-c1cnc(N)c(OC(C)c2cc(F)ccc2Cl)c1.
What is the InChIKey of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(3,5-dimethyl-1H-pyrazol-4-yl)pyridin-2-amine?
The InChIKey is BKZJYVBOSGYYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN4O/c1-9-17(10(2)24-23-9)12-6-16(18(21)22-8-12)25-11(3)14-7-13(20)4-5-15(14)19/h4-8,11H,1-3H3,(H2,21,22)(H,23,24).
What are the key properties of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(3,5-dimethyl-1H-pyrazol-4-yl)pyridin-2-amine?
3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(3,5-dimethyl-1H-pyrazol-4-yl)pyridin-2-amine has a molecular weight of 360.82 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(3,5-dimethyl-1H-pyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 146185139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).