[5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone

C20H21FN6O — CID 67501290

IUPAC[5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)N1CCCC1
InChIInChI=1S/C20H21FN6O/c21-15-10-14(11-22-12-15)17-4-3-8-26(17)18-5-9-27-19(24-18)16(13-23-27)20(28)25-6-1-2-7-25/h5,9-13,17H,1-4,6-8H2/t17-/m1/s1
InChIKeyVICTZKCFLVXPBL-QGZVFWFLSA-N
MW380.43 g/mol
LogP2.84
Rot. Bonds3

About [5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone

[5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 67501290) has the molecular formula C20H21FN6O and a molecular weight of 380.43 g/mol. Its IUPAC name is [5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID67501290
Molecular FormulaC20H21FN6O
Molecular Weight380.43 g/mol
Exact Mass380.18
IUPAC Name[5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)N1CCCC1
InChIInChI=1S/C20H21FN6O/c21-15-10-14(11-22-12-15)17-4-3-8-26(17)18-5-9-27-19(24-18)16(13-23-27)20(28)25-6-1-2-7-25/h5,9-13,17H,1-4,6-8H2/t17-/m1/s1
InChIKeyVICTZKCFLVXPBL-QGZVFWFLSA-N
XLogP2.84
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone (CID 67501290) is [5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone is O=C(c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)N1CCCC1.
What is the InChIKey of [5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is VICTZKCFLVXPBL-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21FN6O/c21-15-10-14(11-22-12-15)17-4-3-8-26(17)18-5-9-27-19(24-18)16(13-23-27)20(28)25-6-1-2-7-25/h5,9-13,17H,1-4,6-8H2/t17-/m1/s1.
What are the key properties of [5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone?
[5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 380.43 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 67501290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).