5-[2-[7-cyclopropyl-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]ethynyl]pyridin-2-amine

C24H17F3N4 — CID 16738496

IUPAC5-[2-[7-cyclopropyl-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]ethynyl]pyridin-2-amine
SMILESNc1ccc(C#Cc2cnn3c(C4CC4)cc(-c4ccc(C(F)(F)F)cc4)cc23)cn1
InChIInChI=1S/C24H17F3N4/c25-24(26,27)20-8-6-16(7-9-20)19-11-21(17-4-5-17)31-22(12-19)18(14-30-31)3-1-15-2-10-23(28)29-13-15/h2,6-14,17H,4-5H2,(H2,28,29)
InChIKeyXWRMLNKEZSRCBP-UHFFFAOYSA-N
MW418.42 g/mol
LogP5.27
Rot. Bonds2

About 5-[2-[7-cyclopropyl-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]ethynyl]pyridin-2-amine

5-[2-[7-cyclopropyl-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]ethynyl]pyridin-2-amine (PubChem CID 16738496) has the molecular formula C24H17F3N4 and a molecular weight of 418.42 g/mol. Its IUPAC name is 5-[2-[7-cyclopropyl-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]ethynyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[2-[7-cyclopropyl-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]ethynyl]pyridin-2-amine
PubChem CID16738496
Molecular FormulaC24H17F3N4
Molecular Weight418.42 g/mol
Exact Mass418.14
IUPAC Name5-[2-[7-cyclopropyl-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]ethynyl]pyridin-2-amine
SMILESNc1ccc(C#Cc2cnn3c(C4CC4)cc(-c4ccc(C(F)(F)F)cc4)cc23)cn1
InChIInChI=1S/C24H17F3N4/c25-24(26,27)20-8-6-16(7-9-20)19-11-21(17-4-5-17)31-22(12-19)18(14-30-31)3-1-15-2-10-23(28)29-13-15/h2,6-14,17H,4-5H2,(H2,28,29)
InChIKeyXWRMLNKEZSRCBP-UHFFFAOYSA-N
XLogP5.27
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.42
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[2-(6-fluoro-3-pyridinyl)ethynyl]-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
CID 86608076
5-[2-[5-[3-ethoxy-4-(trifluoromethyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]pyridin-2-amine
CID 86608089
5-[2-[1-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethynyl]pyrimidin-2-amine
CID 56642607
5-[2-[(6S)-6-methyl-1-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethynyl]pyridin-2-amine
CID 151344776
1-(trifluoromethyl)-4-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]benzene
CID 143875518
5-[2-[5-(4-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]pyridin-2-amine
CID 67001026
pyridine;5-(trifluoromethyl)pyridin-2-amine
CID 158846405
5-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]thiophen-2-yl]pyridin-2-amine
CID 24760510
5-[2-[7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]pyridine-3-carboxamide
CID 11852032
(7S)-3-[2-(6-amino-3-pyridinyl)ethynyl]-5-[3-((18F)fluoromethyl)-4-(trifluoromethyl)phenyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 155618856
(7S)-3-[2-(6-amino-3-pyridinyl)ethynyl]-5-[3-(bromomethyl)-4-(trifluoromethyl)phenyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 129281365
1-(trifluoromethyl)-4-[2-[4-[2-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene
CID 86099970

Frequently Asked Questions

What is the IUPAC name of 5-[2-[7-cyclopropyl-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]ethynyl]pyridin-2-amine?
The IUPAC name of 5-[2-[7-cyclopropyl-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]ethynyl]pyridin-2-amine (CID 16738496) is 5-[2-[7-cyclopropyl-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]ethynyl]pyridin-2-amine.
What is the SMILES notation for 5-[2-[7-cyclopropyl-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]ethynyl]pyridin-2-amine?
The canonical SMILES for 5-[2-[7-cyclopropyl-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]ethynyl]pyridin-2-amine is Nc1ccc(C#Cc2cnn3c(C4CC4)cc(-c4ccc(C(F)(F)F)cc4)cc23)cn1.
What is the InChIKey of 5-[2-[7-cyclopropyl-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]ethynyl]pyridin-2-amine?
The InChIKey is XWRMLNKEZSRCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N4/c25-24(26,27)20-8-6-16(7-9-20)19-11-21(17-4-5-17)31-22(12-19)18(14-30-31)3-1-15-2-10-23(28)29-13-15/h2,6-14,17H,4-5H2,(H2,28,29).
What are the key properties of 5-[2-[7-cyclopropyl-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]ethynyl]pyridin-2-amine?
5-[2-[7-cyclopropyl-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]ethynyl]pyridin-2-amine has a molecular weight of 418.42 g/mol, XLogP of 5.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[7-cyclopropyl-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]ethynyl]pyridin-2-amine is sourced from PubChem (CID 16738496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).