ethyl 5-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate

C20H15F2N5O2 — CID 122478479

IUPACethyl 5-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(-c3cccnc3-c3cccc(C(F)F)n3)nc12
InChIInChI=1S/C20H15F2N5O2/c1-2-29-20(28)13-11-24-27-10-8-14(26-19(13)27)12-5-4-9-23-17(12)15-6-3-7-16(25-15)18(21)22/h3-11,18H,2H2,1H3
InChIKeyDLQZHDLELHUPRS-UHFFFAOYSA-N
MW395.37 g/mol
LogP3.97
Rot. Bonds5

About ethyl 5-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 5-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 122478479) has the molecular formula C20H15F2N5O2 and a molecular weight of 395.37 g/mol. Its IUPAC name is ethyl 5-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID122478479
Molecular FormulaC20H15F2N5O2
Molecular Weight395.37 g/mol
Exact Mass395.12
IUPAC Nameethyl 5-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(-c3cccnc3-c3cccc(C(F)F)n3)nc12
InChIInChI=1S/C20H15F2N5O2/c1-2-29-20(28)13-11-24-27-10-8-14(26-19(13)27)12-5-4-9-23-17(12)15-6-3-7-16(25-15)18(21)22/h3-11,18H,2H2,1H3
InChIKeyDLQZHDLELHUPRS-UHFFFAOYSA-N
XLogP3.97
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.37
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 5-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate 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 ethyl 5-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 5-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 122478479) is ethyl 5-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 5-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 5-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2ccc(-c3cccnc3-c3cccc(C(F)F)n3)nc12.
What is the InChIKey of ethyl 5-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is DLQZHDLELHUPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5O2/c1-2-29-20(28)13-11-24-27-10-8-14(26-19(13)27)12-5-4-9-23-17(12)15-6-3-7-16(25-15)18(21)22/h3-11,18H,2H2,1H3.
What are the key properties of ethyl 5-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 5-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 395.37 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 122478479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).