1-(3,3-difluoroazetidin-1-yl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone

C18H14F2N6O2 — CID 134190243

IUPAC1-(3,3-difluoroazetidin-1-yl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone
SMILESO=C(Cc1noc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CC(F)(F)C1
InChIInChI=1S/C18H14F2N6O2/c19-18(20)8-26(9-18)15(27)7-13-11-4-3-10(6-14(11)28-25-13)22-17-16-12(23-24-17)2-1-5-21-16/h1-6H,7-9H2,(H2,22,23,24)
InChIKeyNYBZAMUZMRUUDT-UHFFFAOYSA-N
MW384.35 g/mol
LogP2.86
Rot. Bonds4

About 1-(3,3-difluoroazetidin-1-yl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone

1-(3,3-difluoroazetidin-1-yl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone (PubChem CID 134190243) has the molecular formula C18H14F2N6O2 and a molecular weight of 384.35 g/mol. Its IUPAC name is 1-(3,3-difluoroazetidin-1-yl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone.

Molecular Properties

Compound Name1-(3,3-difluoroazetidin-1-yl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone
PubChem CID134190243
Molecular FormulaC18H14F2N6O2
Molecular Weight384.35 g/mol
Exact Mass384.11
IUPAC Name1-(3,3-difluoroazetidin-1-yl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone
SMILESO=C(Cc1noc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CC(F)(F)C1
InChIInChI=1S/C18H14F2N6O2/c19-18(20)8-26(9-18)15(27)7-13-11-4-3-10(6-14(11)28-25-13)22-17-16-12(23-24-17)2-1-5-21-16/h1-6H,7-9H2,(H2,22,23,24)
InChIKeyNYBZAMUZMRUUDT-UHFFFAOYSA-N
XLogP2.86
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoroazetidin-1-yl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone?
The IUPAC name of 1-(3,3-difluoroazetidin-1-yl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone (CID 134190243) is 1-(3,3-difluoroazetidin-1-yl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone.
What is the SMILES notation for 1-(3,3-difluoroazetidin-1-yl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone?
The canonical SMILES for 1-(3,3-difluoroazetidin-1-yl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone is O=C(Cc1noc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluoroazetidin-1-yl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone?
The InChIKey is NYBZAMUZMRUUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N6O2/c19-18(20)8-26(9-18)15(27)7-13-11-4-3-10(6-14(11)28-25-13)22-17-16-12(23-24-17)2-1-5-21-16/h1-6H,7-9H2,(H2,22,23,24).
What are the key properties of 1-(3,3-difluoroazetidin-1-yl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone?
1-(3,3-difluoroazetidin-1-yl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone has a molecular weight of 384.35 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoroazetidin-1-yl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone is sourced from PubChem (CID 134190243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).