5-[1-(2-azaspiro[3.5]nonan-7-yl)pyrazol-4-yl]-3-[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]pyridin-2-amine

C25H28F3N5O — CID 154159068

IUPAC5-[1-(2-azaspiro[3.5]nonan-7-yl)pyrazol-4-yl]-3-[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]pyridin-2-amine
SMILESC[C@H](Oc1cc(-c2cnn(C3CCC4(CC3)CNC4)c2)cnc1N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H28F3N5O/c1-16(17-2-4-20(5-3-17)25(26,27)28)34-22-10-18(11-31-23(22)29)19-12-32-33(13-19)21-6-8-24(9-7-21)14-30-15-24/h2-5,10-13,16,21,30H,6-9,14-15H2,1H3,(H2,29,31)/t16-/m0/s1
InChIKeyZXQVEWHXRZYSQH-INIZCTEOSA-N
MW471.53 g/mol
LogP5.39
Rot. Bonds5

About 5-[1-(2-azaspiro[3.5]nonan-7-yl)pyrazol-4-yl]-3-[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]pyridin-2-amine

5-[1-(2-azaspiro[3.5]nonan-7-yl)pyrazol-4-yl]-3-[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]pyridin-2-amine (PubChem CID 154159068) has the molecular formula C25H28F3N5O and a molecular weight of 471.53 g/mol. Its IUPAC name is 5-[1-(2-azaspiro[3.5]nonan-7-yl)pyrazol-4-yl]-3-[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]pyridin-2-amine.

Molecular Properties

Compound Name5-[1-(2-azaspiro[3.5]nonan-7-yl)pyrazol-4-yl]-3-[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]pyridin-2-amine
PubChem CID154159068
Molecular FormulaC25H28F3N5O
Molecular Weight471.53 g/mol
Exact Mass471.22
IUPAC Name5-[1-(2-azaspiro[3.5]nonan-7-yl)pyrazol-4-yl]-3-[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]pyridin-2-amine
SMILESC[C@H](Oc1cc(-c2cnn(C3CCC4(CC3)CNC4)c2)cnc1N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H28F3N5O/c1-16(17-2-4-20(5-3-17)25(26,27)28)34-22-10-18(11-31-23(22)29)19-12-32-33(13-19)21-6-8-24(9-7-21)14-30-15-24/h2-5,10-13,16,21,30H,6-9,14-15H2,1H3,(H2,29,31)/t16-/m0/s1
InChIKeyZXQVEWHXRZYSQH-INIZCTEOSA-N
XLogP5.39
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.53
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(3-fluoro-2,6-dimethylphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 72679528
3-[1-(2-chloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 175673274
[2-[1-[[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]-4-fluorophenyl]methanol
CID 158968110
3-[1-(6-chloro-2-methyl-3-phosphanylphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;ethane
CID 144887695
3-[1-(2-chloro-3-fluoro-6-methoxyphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 146185142
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;1,1,1,4,4,4-hexafluorobutane-2,3-dione
CID 158674687
5-[1-(azetidin-3-yl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;ethane
CID 143190162
5-[1-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
CID 78160487
5-[1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)pyrazol-4-yl]-3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
CID 71722447
5-[1-(5-azaspiro[3.5]nonan-8-yl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
CID 78168616
[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]-piperidin-4-ylmethanone
CID 86269799
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(4-oxaspiro[2.5]octan-7-yl)pyrazol-4-yl]pyridin-2-amine
CID 78168643

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-azaspiro[3.5]nonan-7-yl)pyrazol-4-yl]-3-[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]pyridin-2-amine?
The IUPAC name of 5-[1-(2-azaspiro[3.5]nonan-7-yl)pyrazol-4-yl]-3-[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]pyridin-2-amine (CID 154159068) is 5-[1-(2-azaspiro[3.5]nonan-7-yl)pyrazol-4-yl]-3-[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]pyridin-2-amine.
What is the SMILES notation for 5-[1-(2-azaspiro[3.5]nonan-7-yl)pyrazol-4-yl]-3-[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]pyridin-2-amine?
The canonical SMILES for 5-[1-(2-azaspiro[3.5]nonan-7-yl)pyrazol-4-yl]-3-[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]pyridin-2-amine is C[C@H](Oc1cc(-c2cnn(C3CCC4(CC3)CNC4)c2)cnc1N)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-[1-(2-azaspiro[3.5]nonan-7-yl)pyrazol-4-yl]-3-[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]pyridin-2-amine?
The InChIKey is ZXQVEWHXRZYSQH-INIZCTEOSA-N. The full InChI is InChI=1S/C25H28F3N5O/c1-16(17-2-4-20(5-3-17)25(26,27)28)34-22-10-18(11-31-23(22)29)19-12-32-33(13-19)21-6-8-24(9-7-21)14-30-15-24/h2-5,10-13,16,21,30H,6-9,14-15H2,1H3,(H2,29,31)/t16-/m0/s1.
What are the key properties of 5-[1-(2-azaspiro[3.5]nonan-7-yl)pyrazol-4-yl]-3-[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]pyridin-2-amine?
5-[1-(2-azaspiro[3.5]nonan-7-yl)pyrazol-4-yl]-3-[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]pyridin-2-amine has a molecular weight of 471.53 g/mol, XLogP of 5.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-azaspiro[3.5]nonan-7-yl)pyrazol-4-yl]-3-[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]pyridin-2-amine is sourced from PubChem (CID 154159068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).