5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H15FN6O — CID 67500169

IUPAC5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12
InChIInChI=1S/C16H15FN6O/c17-11-6-10(7-19-8-11)13-2-1-4-22(13)14-3-5-23-16(21-14)12(9-20-23)15(18)24/h3,5-9,13H,1-2,4H2,(H2,18,24)
InChIKeyWRBFVDOQDFYXNC-UHFFFAOYSA-N
MW326.34 g/mol
LogP1.70
Rot. Bonds3

About 5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67500169) has the molecular formula C16H15FN6O and a molecular weight of 326.34 g/mol. Its IUPAC name is 5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID67500169
Molecular FormulaC16H15FN6O
Molecular Weight326.34 g/mol
Exact Mass326.13
IUPAC Name5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12
InChIInChI=1S/C16H15FN6O/c17-11-6-10(7-19-8-11)13-2-1-4-22(13)14-3-5-23-16(21-14)12(9-20-23)15(18)24/h3,5-9,13H,1-2,4H2,(H2,18,24)
InChIKeyWRBFVDOQDFYXNC-UHFFFAOYSA-N
XLogP1.70
TPSA89.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67500169) is 5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is NC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12.
What is the InChIKey of 5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WRBFVDOQDFYXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN6O/c17-11-6-10(7-19-8-11)13-2-1-4-22(13)14-3-5-23-16(21-14)12(9-20-23)15(18)24/h3,5-9,13H,1-2,4H2,(H2,18,24).
What are the key properties of 5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 326.34 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67500169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).