4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylpyrimidin-2-amine

C21H17F4N5 — CID 11711359

IUPAC4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)Nc1nccc(-c2c(-c3ccc(F)cc3)nn3cc(C(F)(F)F)ccc23)n1
InChIInChI=1S/C21H17F4N5/c1-12(2)27-20-26-10-9-16(28-20)18-17-8-5-14(21(23,24)25)11-30(17)29-19(18)13-3-6-15(22)7-4-13/h3-12H,1-2H3,(H,26,27,28)
InChIKeyCBHFUORPRUTHHG-UHFFFAOYSA-N
MW415.39 g/mol
LogP5.44
Rot. Bonds4

About 4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylpyrimidin-2-amine

4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylpyrimidin-2-amine (PubChem CID 11711359) has the molecular formula C21H17F4N5 and a molecular weight of 415.39 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylpyrimidin-2-amine
PubChem CID11711359
Molecular FormulaC21H17F4N5
Molecular Weight415.39 g/mol
Exact Mass415.14
IUPAC Name4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)Nc1nccc(-c2c(-c3ccc(F)cc3)nn3cc(C(F)(F)F)ccc23)n1
InChIInChI=1S/C21H17F4N5/c1-12(2)27-20-26-10-9-16(28-20)18-17-8-5-14(21(23,24)25)11-30(17)29-19(18)13-3-6-15(22)7-4-13/h3-12H,1-2H3,(H,26,27,28)
InChIKeyCBHFUORPRUTHHG-UHFFFAOYSA-N
XLogP5.44
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.39
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylpyrimidin-2-amine (CID 11711359) is 4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylpyrimidin-2-amine is CC(C)Nc1nccc(-c2c(-c3ccc(F)cc3)nn3cc(C(F)(F)F)ccc23)n1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is CBHFUORPRUTHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F4N5/c1-12(2)27-20-26-10-9-16(28-20)18-17-8-5-14(21(23,24)25)11-30(17)29-19(18)13-3-6-15(22)7-4-13/h3-12H,1-2H3,(H,26,27,28).
What are the key properties of 4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylpyrimidin-2-amine?
4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylpyrimidin-2-amine has a molecular weight of 415.39 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 11711359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).