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

C20H22FN7O2 — CID 90199599

IUPAC2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1C1CCN(C2COC2)CC1
InChIInChI=1S/C20H22FN7O2/c21-13-7-24-19-17(18(22)26-28(19)9-13)20(29)25-16-8-23-4-1-15(16)12-2-5-27(6-3-12)14-10-30-11-14/h1,4,7-9,12,14H,2-3,5-6,10-11H2,(H2,22,26)(H,25,29)
InChIKeyBSYMBVCUBUAQET-UHFFFAOYSA-N
MW411.44 g/mol
LogP1.68
Rot. Bonds4

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

2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90199599) has the molecular formula C20H22FN7O2 and a molecular weight of 411.44 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90199599
Molecular FormulaC20H22FN7O2
Molecular Weight411.44 g/mol
Exact Mass411.18
IUPAC Name2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1C1CCN(C2COC2)CC1
InChIInChI=1S/C20H22FN7O2/c21-13-7-24-19-17(18(22)26-28(19)9-13)20(29)25-16-8-23-4-1-15(16)12-2-5-27(6-3-12)14-10-30-11-14/h1,4,7-9,12,14H,2-3,5-6,10-11H2,(H2,22,26)(H,25,29)
InChIKeyBSYMBVCUBUAQET-UHFFFAOYSA-N
XLogP1.68
TPSA110.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90199599) is 2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-3-pyridinyl]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]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1C1CCN(C2COC2)CC1.
What is the InChIKey of 2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BSYMBVCUBUAQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN7O2/c21-13-7-24-19-17(18(22)26-28(19)9-13)20(29)25-16-8-23-4-1-15(16)12-2-5-27(6-3-12)14-10-30-11-14/h1,4,7-9,12,14H,2-3,5-6,10-11H2,(H2,22,26)(H,25,29).
What are the key properties of 2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 411.44 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 8 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]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90199599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).