1-(4-phenoxyphenyl)-7-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-c]pyridin-3-amine

C25H17F3N4O — CID 154275938

IUPAC1-(4-phenoxyphenyl)-7-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-c]pyridin-3-amine
SMILESNc1nn(-c2ccc(Oc3ccccc3)cc2)c2c(-c3cccc(C(F)(F)F)c3)nccc12
InChIInChI=1S/C25H17F3N4O/c26-25(27,28)17-6-4-5-16(15-17)22-23-21(13-14-30-22)24(29)31-32(23)18-9-11-20(12-10-18)33-19-7-2-1-3-8-19/h1-15H,(H2,29,31)
InChIKeyWMGYPPCSIUVAEX-UHFFFAOYSA-N
MW446.43 g/mol
LogP6.48
Rot. Bonds4

About 1-(4-phenoxyphenyl)-7-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-c]pyridin-3-amine

1-(4-phenoxyphenyl)-7-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-c]pyridin-3-amine (PubChem CID 154275938) has the molecular formula C25H17F3N4O and a molecular weight of 446.43 g/mol. Its IUPAC name is 1-(4-phenoxyphenyl)-7-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-c]pyridin-3-amine.

Molecular Properties

Compound Name1-(4-phenoxyphenyl)-7-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-c]pyridin-3-amine
PubChem CID154275938
Molecular FormulaC25H17F3N4O
Molecular Weight446.43 g/mol
Exact Mass446.14
IUPAC Name1-(4-phenoxyphenyl)-7-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-c]pyridin-3-amine
SMILESNc1nn(-c2ccc(Oc3ccccc3)cc2)c2c(-c3cccc(C(F)(F)F)c3)nccc12
InChIInChI=1S/C25H17F3N4O/c26-25(27,28)17-6-4-5-16(15-17)22-23-21(13-14-30-22)24(29)31-32(23)18-9-11-20(12-10-18)33-19-7-2-1-3-8-19/h1-15H,(H2,29,31)
InChIKeyWMGYPPCSIUVAEX-UHFFFAOYSA-N
XLogP6.48
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.43
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-5-[3-(trifluoromethyl)phenyl]pyrazol-3-amine
CID 71287829
1-phenyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 4593193
3-cyclopentyl-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-7-amine
CID 22037819
4-[3-(trifluoromethyl)phenoxy]aniline
CID 2760750
1-(3-bromophenyl)-4-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-3-amine
CID 154293952
2-[3-amino-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 134623990
1-(4-aminophenyl)-4-(4-phenoxyphenyl)pyrazolo[3,4-b]pyridin-3-amine
CID 154235209
1,3-bis[3-(trifluoromethyl)phenyl]indazole
CID 21044944
8-phenyl-3H-pyrido[3,4-d]triazin-4-one;8-[3-(trifluoromethyl)phenyl]-3H-pyrido[3,4-d]triazin-4-one
CID 161282504
2-phenoxy-3-[3-(trifluoromethyl)phenyl]quinoline
CID 2765458
2-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 53218025
4-methoxy-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]pyridine
CID 134628417

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenoxyphenyl)-7-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-c]pyridin-3-amine?
The IUPAC name of 1-(4-phenoxyphenyl)-7-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-c]pyridin-3-amine (CID 154275938) is 1-(4-phenoxyphenyl)-7-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-c]pyridin-3-amine.
What is the SMILES notation for 1-(4-phenoxyphenyl)-7-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-c]pyridin-3-amine?
The canonical SMILES for 1-(4-phenoxyphenyl)-7-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-c]pyridin-3-amine is Nc1nn(-c2ccc(Oc3ccccc3)cc2)c2c(-c3cccc(C(F)(F)F)c3)nccc12.
What is the InChIKey of 1-(4-phenoxyphenyl)-7-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-c]pyridin-3-amine?
The InChIKey is WMGYPPCSIUVAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F3N4O/c26-25(27,28)17-6-4-5-16(15-17)22-23-21(13-14-30-22)24(29)31-32(23)18-9-11-20(12-10-18)33-19-7-2-1-3-8-19/h1-15H,(H2,29,31).
What are the key properties of 1-(4-phenoxyphenyl)-7-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-c]pyridin-3-amine?
1-(4-phenoxyphenyl)-7-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-c]pyridin-3-amine has a molecular weight of 446.43 g/mol, XLogP of 6.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenoxyphenyl)-7-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-c]pyridin-3-amine is sourced from PubChem (CID 154275938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).