5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H23FN6O2 — CID 67501419

IUPAC5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCOCC1)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12
InChIInChI=1S/C21H23FN6O2/c22-15-10-14(11-23-12-15)18-2-1-6-27(18)19-3-7-28-20(26-19)17(13-24-28)21(29)25-16-4-8-30-9-5-16/h3,7,10-13,16,18H,1-2,4-6,8-9H2,(H,25,29)/t18-/m1/s1
InChIKeyNKAVBKULSDGBBI-GOSISDBHSA-N
MW410.45 g/mol
LogP2.51
Rot. Bonds4

About 5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67501419) has the molecular formula C21H23FN6O2 and a molecular weight of 410.45 g/mol. Its IUPAC name is 5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID67501419
Molecular FormulaC21H23FN6O2
Molecular Weight410.45 g/mol
Exact Mass410.19
IUPAC Name5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCOCC1)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12
InChIInChI=1S/C21H23FN6O2/c22-15-10-14(11-23-12-15)18-2-1-6-27(18)19-3-7-28-20(26-19)17(13-24-28)21(29)25-16-4-8-30-9-5-16/h3,7,10-13,16,18H,1-2,4-6,8-9H2,(H,25,29)/t18-/m1/s1
InChIKeyNKAVBKULSDGBBI-GOSISDBHSA-N
XLogP2.51
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67501419) is 5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NC1CCOCC1)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12.
What is the InChIKey of 5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NKAVBKULSDGBBI-GOSISDBHSA-N. The full InChI is InChI=1S/C21H23FN6O2/c22-15-10-14(11-23-12-15)18-2-1-6-27(18)19-3-7-28-20(26-19)17(13-24-28)21(29)25-16-4-8-30-9-5-16/h3,7,10-13,16,18H,1-2,4-6,8-9H2,(H,25,29)/t18-/m1/s1.
What are the key properties of 5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 410.45 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67501419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).