7-amino-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C13H10F3N7O2 — CID 137441594

IUPAC7-amino-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cnn2c(N)cc(Nc3cccnc3OC(F)(F)F)nc12
InChIInChI=1S/C13H10F3N7O2/c14-13(15,16)25-12-7(2-1-3-19-12)21-9-4-8(17)23-11(22-9)6(5-20-23)10(18)24/h1-5H,17H2,(H2,18,24)(H,21,22)
InChIKeyOHNDPIFFDDUKRR-UHFFFAOYSA-N
MW353.26 g/mol
LogP1.45
Rot. Bonds4

About 7-amino-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-amino-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137441594) has the molecular formula C13H10F3N7O2 and a molecular weight of 353.26 g/mol. Its IUPAC name is 7-amino-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-amino-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137441594
Molecular FormulaC13H10F3N7O2
Molecular Weight353.26 g/mol
Exact Mass353.08
IUPAC Name7-amino-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cnn2c(N)cc(Nc3cccnc3OC(F)(F)F)nc12
InChIInChI=1S/C13H10F3N7O2/c14-13(15,16)25-12-7(2-1-3-19-12)21-9-4-8(17)23-11(22-9)6(5-20-23)10(18)24/h1-5H,17H2,(H2,18,24)(H,21,22)
InChIKeyOHNDPIFFDDUKRR-UHFFFAOYSA-N
XLogP1.45
TPSA133.45 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-amino-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-amino-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137441594) is 7-amino-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-amino-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-amino-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is NC(=O)c1cnn2c(N)cc(Nc3cccnc3OC(F)(F)F)nc12.
What is the InChIKey of 7-amino-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OHNDPIFFDDUKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N7O2/c14-13(15,16)25-12-7(2-1-3-19-12)21-9-4-8(17)23-11(22-9)6(5-20-23)10(18)24/h1-5H,17H2,(H2,18,24)(H,21,22).
What are the key properties of 7-amino-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-amino-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 353.26 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137441594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).