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

C20H21F2N7O3 — CID 90200126

IUPAC2-amino-6-fluoro-N-[5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1OC1CCN(C2COC2)CC1
InChIInChI=1S/C20H21F2N7O3/c21-11-5-25-19-16(18(23)27-29(19)8-11)20(30)26-15-7-24-6-14(22)17(15)32-13-1-3-28(4-2-13)12-9-31-10-12/h5-8,12-13H,1-4,9-10H2,(H2,23,27)(H,26,30)
InChIKeyRTVLIPIOCKCYKM-UHFFFAOYSA-N
MW445.43 g/mol
LogP1.48
Rot. Bonds5

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

2-amino-6-fluoro-N-[5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90200126) has the molecular formula C20H21F2N7O3 and a molecular weight of 445.43 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90200126
Molecular FormulaC20H21F2N7O3
Molecular Weight445.43 g/mol
Exact Mass445.17
IUPAC Name2-amino-6-fluoro-N-[5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1OC1CCN(C2COC2)CC1
InChIInChI=1S/C20H21F2N7O3/c21-11-5-25-19-16(18(23)27-29(19)8-11)20(30)26-15-7-24-6-14(22)17(15)32-13-1-3-28(4-2-13)12-9-31-10-12/h5-8,12-13H,1-4,9-10H2,(H2,23,27)(H,26,30)
InChIKeyRTVLIPIOCKCYKM-UHFFFAOYSA-N
XLogP1.48
TPSA119.90 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.43
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90200126) is 2-amino-6-fluoro-N-[5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1OC1CCN(C2COC2)CC1.
What is the InChIKey of 2-amino-6-fluoro-N-[5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RTVLIPIOCKCYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N7O3/c21-11-5-25-19-16(18(23)27-29(19)8-11)20(30)26-15-7-24-6-14(22)17(15)32-13-1-3-28(4-2-13)12-9-31-10-12/h5-8,12-13H,1-4,9-10H2,(H2,23,27)(H,26,30).
What are the key properties of 2-amino-6-fluoro-N-[5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 445.43 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-[5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90200126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).