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

C20H22FN7O3 — CID 90199294

IUPAC2-amino-6-fluoro-N-[4-[(3S)-1-(oxetan-3-yl)piperidin-3-yl]oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1O[C@H]1CCCN(C2COC2)C1
InChIInChI=1S/C20H22FN7O3/c21-12-6-24-19-17(18(22)26-28(19)8-12)20(29)25-15-7-23-4-3-16(15)31-14-2-1-5-27(9-14)13-10-30-11-13/h3-4,6-8,13-14H,1-2,5,9-11H2,(H2,22,26)(H,25,29)/t14-/m0/s1
InChIKeyXNZAVMRYTKSVQU-AWEZNQCLSA-N
MW427.44 g/mol
LogP1.34
Rot. Bonds5

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

2-amino-6-fluoro-N-[4-[(3S)-1-(oxetan-3-yl)piperidin-3-yl]oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90199294) has the molecular formula C20H22FN7O3 and a molecular weight of 427.44 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-[(3S)-1-(oxetan-3-yl)piperidin-3-yl]oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[4-[(3S)-1-(oxetan-3-yl)piperidin-3-yl]oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90199294
Molecular FormulaC20H22FN7O3
Molecular Weight427.44 g/mol
Exact Mass427.18
IUPAC Name2-amino-6-fluoro-N-[4-[(3S)-1-(oxetan-3-yl)piperidin-3-yl]oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1O[C@H]1CCCN(C2COC2)C1
InChIInChI=1S/C20H22FN7O3/c21-12-6-24-19-17(18(22)26-28(19)8-12)20(29)25-15-7-23-4-3-16(15)31-14-2-1-5-27(9-14)13-10-30-11-13/h3-4,6-8,13-14H,1-2,5,9-11H2,(H2,22,26)(H,25,29)/t14-/m0/s1
InChIKeyXNZAVMRYTKSVQU-AWEZNQCLSA-N
XLogP1.34
TPSA119.90 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.44
LogP ≤ 51.34
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-[4-[(3S)-1-(oxetan-3-yl)piperidin-3-yl]oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[4-[(3S)-1-(oxetan-3-yl)piperidin-3-yl]oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90199294) is 2-amino-6-fluoro-N-[4-[(3S)-1-(oxetan-3-yl)piperidin-3-yl]oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[4-[(3S)-1-(oxetan-3-yl)piperidin-3-yl]oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[4-[(3S)-1-(oxetan-3-yl)piperidin-3-yl]oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1O[C@H]1CCCN(C2COC2)C1.
What is the InChIKey of 2-amino-6-fluoro-N-[4-[(3S)-1-(oxetan-3-yl)piperidin-3-yl]oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XNZAVMRYTKSVQU-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22FN7O3/c21-12-6-24-19-17(18(22)26-28(19)8-12)20(29)25-15-7-23-4-3-16(15)31-14-2-1-5-27(9-14)13-10-30-11-13/h3-4,6-8,13-14H,1-2,5,9-11H2,(H2,22,26)(H,25,29)/t14-/m0/s1.
What are the key properties of 2-amino-6-fluoro-N-[4-[(3S)-1-(oxetan-3-yl)piperidin-3-yl]oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[4-[(3S)-1-(oxetan-3-yl)piperidin-3-yl]oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 427.44 g/mol, XLogP of 1.34, 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-[4-[(3S)-1-(oxetan-3-yl)piperidin-3-yl]oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90199294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).