5-bromo-3-[(1R)-1-[2-[4-[1-[1-ethyl-3-(2-fluoroethoxy)pyrazol-4-yl]ethenyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]pyridin-2-amine

C26H27BrF2N6O2 — CID 178129047

IUPAC5-bromo-3-[(1R)-1-[2-[4-[1-[1-ethyl-3-(2-fluoroethoxy)pyrazol-4-yl]ethenyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]pyridin-2-amine
SMILESC=C(c1cn(CC)nc1OCCF)c1cn(C)nc1-c1ccc(F)cc1[C@@H](C)Oc1cc(Br)cnc1N
InChIInChI=1S/C26H27BrF2N6O2/c1-5-35-14-22(26(33-35)36-9-8-28)15(2)21-13-34(4)32-24(21)19-7-6-18(29)11-20(19)16(3)37-23-10-17(27)12-31-25(23)30/h6-7,10-14,16H,2,5,8-9H2,1,3-4H3,(H2,30,31)/t16-/m1/s1
InChIKeyZUWSGBPTBZNVSB-MRXNPFEDSA-N
MW573.44 g/mol
LogP5.73
Rot. Bonds10

About 5-bromo-3-[(1R)-1-[2-[4-[1-[1-ethyl-3-(2-fluoroethoxy)pyrazol-4-yl]ethenyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]pyridin-2-amine

5-bromo-3-[(1R)-1-[2-[4-[1-[1-ethyl-3-(2-fluoroethoxy)pyrazol-4-yl]ethenyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]pyridin-2-amine (PubChem CID 178129047) has the molecular formula C26H27BrF2N6O2 and a molecular weight of 573.44 g/mol. Its IUPAC name is 5-bromo-3-[(1R)-1-[2-[4-[1-[1-ethyl-3-(2-fluoroethoxy)pyrazol-4-yl]ethenyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-[(1R)-1-[2-[4-[1-[1-ethyl-3-(2-fluoroethoxy)pyrazol-4-yl]ethenyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]pyridin-2-amine
PubChem CID178129047
Molecular FormulaC26H27BrF2N6O2
Molecular Weight573.44 g/mol
Exact Mass572.13
IUPAC Name5-bromo-3-[(1R)-1-[2-[4-[1-[1-ethyl-3-(2-fluoroethoxy)pyrazol-4-yl]ethenyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]pyridin-2-amine
SMILESC=C(c1cn(CC)nc1OCCF)c1cn(C)nc1-c1ccc(F)cc1[C@@H](C)Oc1cc(Br)cnc1N
InChIInChI=1S/C26H27BrF2N6O2/c1-5-35-14-22(26(33-35)36-9-8-28)15(2)21-13-34(4)32-24(21)19-7-6-18(29)11-20(19)16(3)37-23-10-17(27)12-31-25(23)30/h6-7,10-14,16H,2,5,8-9H2,1,3-4H3,(H2,30,31)/t16-/m1/s1
InChIKeyZUWSGBPTBZNVSB-MRXNPFEDSA-N
XLogP5.73
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.44
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[1-[3-[2-[(1R)-1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-4-fluorophenyl]-1-methylpyrazol-4-yl]ethenyl]-1-methylpyrazole-3-carbonitrile
CID 178128933
5-bromo-3-[(1R)-1-[2-[4-[1-(3-chloro-1-ethylpyrazol-4-yl)-2,2-difluoroethenyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]-2-nitropyridine
CID 178128918
[5-[2-[(1R)-1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-4-fluorophenyl]-2-methyltriazol-4-yl]-(1-ethylpyrrol-3-yl)methanone
CID 166559791
3-[(1S)-1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]pyridin-2-amine
CID 170270249
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-[(1R)-1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]pyridin-2-amine
CID 170286062
1-[[3-[2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-4-fluorophenyl]pyrazin-2-yl]methyl]imidazole-4-carbonitrile
CID 175401159
5-bromo-3-[1-[2-[4-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]-1-deuterioethoxy]pyridin-2-amine
CID 169193065
5-bromo-3-[1-(2-methoxyphenyl)ethoxy]pyridin-2-amine
CID 170429337
3-[(1R)-1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-methylphenyl]ethoxy]pyridin-2-amine
CID 170270223
5-bromo-3-[(1R)-1-(2-chlorophenyl)ethoxy]pyridin-2-amine
CID 164858696

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(1R)-1-[2-[4-[1-[1-ethyl-3-(2-fluoroethoxy)pyrazol-4-yl]ethenyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]pyridin-2-amine?
The IUPAC name of 5-bromo-3-[(1R)-1-[2-[4-[1-[1-ethyl-3-(2-fluoroethoxy)pyrazol-4-yl]ethenyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]pyridin-2-amine (CID 178129047) is 5-bromo-3-[(1R)-1-[2-[4-[1-[1-ethyl-3-(2-fluoroethoxy)pyrazol-4-yl]ethenyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-[(1R)-1-[2-[4-[1-[1-ethyl-3-(2-fluoroethoxy)pyrazol-4-yl]ethenyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-[(1R)-1-[2-[4-[1-[1-ethyl-3-(2-fluoroethoxy)pyrazol-4-yl]ethenyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]pyridin-2-amine is C=C(c1cn(CC)nc1OCCF)c1cn(C)nc1-c1ccc(F)cc1[C@@H](C)Oc1cc(Br)cnc1N.
What is the InChIKey of 5-bromo-3-[(1R)-1-[2-[4-[1-[1-ethyl-3-(2-fluoroethoxy)pyrazol-4-yl]ethenyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]pyridin-2-amine?
The InChIKey is ZUWSGBPTBZNVSB-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H27BrF2N6O2/c1-5-35-14-22(26(33-35)36-9-8-28)15(2)21-13-34(4)32-24(21)19-7-6-18(29)11-20(19)16(3)37-23-10-17(27)12-31-25(23)30/h6-7,10-14,16H,2,5,8-9H2,1,3-4H3,(H2,30,31)/t16-/m1/s1.
What are the key properties of 5-bromo-3-[(1R)-1-[2-[4-[1-[1-ethyl-3-(2-fluoroethoxy)pyrazol-4-yl]ethenyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]pyridin-2-amine?
5-bromo-3-[(1R)-1-[2-[4-[1-[1-ethyl-3-(2-fluoroethoxy)pyrazol-4-yl]ethenyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]pyridin-2-amine has a molecular weight of 573.44 g/mol, XLogP of 5.73, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(1R)-1-[2-[4-[1-[1-ethyl-3-(2-fluoroethoxy)pyrazol-4-yl]ethenyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]pyridin-2-amine is sourced from PubChem (CID 178129047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).