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

C20H16FN5O2 — CID 122478522

IUPACethyl 5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(-c3cccnc3-c3ccc(F)c(C)n3)nc12
InChIInChI=1S/C20H16FN5O2/c1-3-28-20(27)14-11-23-26-10-8-16(25-19(14)26)13-5-4-9-22-18(13)17-7-6-15(21)12(2)24-17/h4-11H,3H2,1-2H3
InChIKeyWFQBACJZFNFDAD-UHFFFAOYSA-N
MW377.38 g/mol
LogP3.48
Rot. Bonds4

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

ethyl 5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 122478522) has the molecular formula C20H16FN5O2 and a molecular weight of 377.38 g/mol. Its IUPAC name is ethyl 5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID122478522
Molecular FormulaC20H16FN5O2
Molecular Weight377.38 g/mol
Exact Mass377.13
IUPAC Nameethyl 5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(-c3cccnc3-c3ccc(F)c(C)n3)nc12
InChIInChI=1S/C20H16FN5O2/c1-3-28-20(27)14-11-23-26-10-8-16(25-19(14)26)13-5-4-9-22-18(13)17-7-6-15(21)12(2)24-17/h4-11H,3H2,1-2H3
InChIKeyWFQBACJZFNFDAD-UHFFFAOYSA-N
XLogP3.48
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 122478522) is ethyl 5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2ccc(-c3cccnc3-c3ccc(F)c(C)n3)nc12.
What is the InChIKey of ethyl 5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is WFQBACJZFNFDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O2/c1-3-28-20(27)14-11-23-26-10-8-16(25-19(14)26)13-5-4-9-22-18(13)17-7-6-15(21)12(2)24-17/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 377.38 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 122478522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).