cyclopropyl-[3-formyl-5-[[3-(trifluoromethyl)-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]carbamic acid

C17H13F3N6O3 — CID 89264310

IUPACcyclopropyl-[3-formyl-5-[[3-(trifluoromethyl)-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]carbamic acid
SMILESO=Cc1cnn2c(N(C(=O)O)C3CC3)cc(Nc3ccncc3C(F)(F)F)nc12
InChIInChI=1S/C17H13F3N6O3/c18-17(19,20)11-7-21-4-3-12(11)23-13-5-14(25(16(28)29)10-1-2-10)26-15(24-13)9(8-27)6-22-26/h3-8,10H,1-2H2,(H,28,29)(H,21,23,24)
InChIKeyCOZNRUVIRABNIS-UHFFFAOYSA-N
MW406.32 g/mol
LogP3.35
Rot. Bonds5

About cyclopropyl-[3-formyl-5-[[3-(trifluoromethyl)-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]carbamic acid

cyclopropyl-[3-formyl-5-[[3-(trifluoromethyl)-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]carbamic acid (PubChem CID 89264310) has the molecular formula C17H13F3N6O3 and a molecular weight of 406.32 g/mol. Its IUPAC name is cyclopropyl-[3-formyl-5-[[3-(trifluoromethyl)-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]carbamic acid.

Molecular Properties

Compound Namecyclopropyl-[3-formyl-5-[[3-(trifluoromethyl)-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]carbamic acid
PubChem CID89264310
Molecular FormulaC17H13F3N6O3
Molecular Weight406.32 g/mol
Exact Mass406.10
IUPAC Namecyclopropyl-[3-formyl-5-[[3-(trifluoromethyl)-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]carbamic acid
SMILESO=Cc1cnn2c(N(C(=O)O)C3CC3)cc(Nc3ccncc3C(F)(F)F)nc12
InChIInChI=1S/C17H13F3N6O3/c18-17(19,20)11-7-21-4-3-12(11)23-13-5-14(25(16(28)29)10-1-2-10)26-15(24-13)9(8-27)6-22-26/h3-8,10H,1-2H2,(H,28,29)(H,21,23,24)
InChIKeyCOZNRUVIRABNIS-UHFFFAOYSA-N
XLogP3.35
TPSA112.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.32
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze cyclopropyl-[3-formyl-5-[[3-(trifluoromethyl)-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-formyl-5-[[3-(trifluoromethyl)-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]carbamic acid?
The IUPAC name of cyclopropyl-[3-formyl-5-[[3-(trifluoromethyl)-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]carbamic acid (CID 89264310) is cyclopropyl-[3-formyl-5-[[3-(trifluoromethyl)-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]carbamic acid.
What is the SMILES notation for cyclopropyl-[3-formyl-5-[[3-(trifluoromethyl)-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]carbamic acid?
The canonical SMILES for cyclopropyl-[3-formyl-5-[[3-(trifluoromethyl)-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]carbamic acid is O=Cc1cnn2c(N(C(=O)O)C3CC3)cc(Nc3ccncc3C(F)(F)F)nc12.
What is the InChIKey of cyclopropyl-[3-formyl-5-[[3-(trifluoromethyl)-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]carbamic acid?
The InChIKey is COZNRUVIRABNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N6O3/c18-17(19,20)11-7-21-4-3-12(11)23-13-5-14(25(16(28)29)10-1-2-10)26-15(24-13)9(8-27)6-22-26/h3-8,10H,1-2H2,(H,28,29)(H,21,23,24).
What are the key properties of cyclopropyl-[3-formyl-5-[[3-(trifluoromethyl)-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]carbamic acid?
cyclopropyl-[3-formyl-5-[[3-(trifluoromethyl)-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]carbamic acid has a molecular weight of 406.32 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-formyl-5-[[3-(trifluoromethyl)-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]carbamic acid is sourced from PubChem (CID 89264310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).