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

C17H17FN6O2 — CID 68910368

IUPAC5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cnc3CO)nc12
InChIInChI=1S/C17H17FN6O2/c18-10-6-11(13(9-25)20-7-10)14-2-1-4-23(14)15-3-5-24-17(22-15)12(8-21-24)16(19)26/h3,5-8,14,25H,1-2,4,9H2,(H2,19,26)/t14-/m1/s1
InChIKeyCXTZBLHNTGMZDF-CQSZACIVSA-N
MW356.36 g/mol
LogP1.20
Rot. Bonds4

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

5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 68910368) has the molecular formula C17H17FN6O2 and a molecular weight of 356.36 g/mol. Its IUPAC name is 5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID68910368
Molecular FormulaC17H17FN6O2
Molecular Weight356.36 g/mol
Exact Mass356.14
IUPAC Name5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cnc3CO)nc12
InChIInChI=1S/C17H17FN6O2/c18-10-6-11(13(9-25)20-7-10)14-2-1-4-23(14)15-3-5-24-17(22-15)12(8-21-24)16(19)26/h3,5-8,14,25H,1-2,4,9H2,(H2,19,26)/t14-/m1/s1
InChIKeyCXTZBLHNTGMZDF-CQSZACIVSA-N
XLogP1.20
TPSA109.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 68910368) is 5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cnc3CO)nc12.
What is the InChIKey of 5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CXTZBLHNTGMZDF-CQSZACIVSA-N. The full InChI is InChI=1S/C17H17FN6O2/c18-10-6-11(13(9-25)20-7-10)14-2-1-4-23(14)15-3-5-24-17(22-15)12(8-21-24)16(19)26/h3,5-8,14,25H,1-2,4,9H2,(H2,19,26)/t14-/m1/s1.
What are the key properties of 5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 356.36 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 68910368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).