2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H21FN8O3 — CID 85471491

IUPAC2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(F)cnc2c1C(=O)Nc1cncnc1OC1CCN(C2COC2)CC1
InChIInChI=1S/C19H21FN8O3/c20-11-5-23-17-15(16(21)26-28(17)7-11)18(29)25-14-6-22-10-24-19(14)31-13-1-3-27(4-2-13)12-8-30-9-12/h5-7,10,12-13H,1-4,8-9H2,(H2,21,26)(H,25,29)
InChIKeyZFHUQLRQSOBWDI-UHFFFAOYSA-N
MW428.43 g/mol
LogP0.73
Rot. Bonds5

About 2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 85471491) has the molecular formula C19H21FN8O3 and a molecular weight of 428.43 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID85471491
Molecular FormulaC19H21FN8O3
Molecular Weight428.43 g/mol
Exact Mass428.17
IUPAC Name2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(F)cnc2c1C(=O)Nc1cncnc1OC1CCN(C2COC2)CC1
InChIInChI=1S/C19H21FN8O3/c20-11-5-23-17-15(16(21)26-28(17)7-11)18(29)25-14-6-22-10-24-19(14)31-13-1-3-27(4-2-13)12-8-30-9-12/h5-7,10,12-13H,1-4,8-9H2,(H2,21,26)(H,25,29)
InChIKeyZFHUQLRQSOBWDI-UHFFFAOYSA-N
XLogP0.73
TPSA132.79 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.43
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 85471491) is 2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2cc(F)cnc2c1C(=O)Nc1cncnc1OC1CCN(C2COC2)CC1.
What is the InChIKey of 2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZFHUQLRQSOBWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN8O3/c20-11-5-23-17-15(16(21)26-28(17)7-11)18(29)25-14-6-22-10-24-19(14)31-13-1-3-27(4-2-13)12-8-30-9-12/h5-7,10,12-13H,1-4,8-9H2,(H2,21,26)(H,25,29).
What are the key properties of 2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 428.43 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 85471491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).