1-[2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole

C19H16F2N6 — CID 118930216

IUPAC1-[2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole
SMILESCn1cc(-c2ccc3cnn(-c4ccnc(N5CC(F)(F)C5)c4)c3c2)cn1
InChIInChI=1S/C19H16F2N6/c1-25-10-15(9-23-25)13-2-3-14-8-24-27(17(14)6-13)16-4-5-22-18(7-16)26-11-19(20,21)12-26/h2-10H,11-12H2,1H3
InChIKeyWQGFFIALLGKOTF-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.28
Rot. Bonds3

About 1-[2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole

1-[2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole (PubChem CID 118930216) has the molecular formula C19H16F2N6 and a molecular weight of 366.38 g/mol. Its IUPAC name is 1-[2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole.

Molecular Properties

Compound Name1-[2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole
PubChem CID118930216
Molecular FormulaC19H16F2N6
Molecular Weight366.38 g/mol
Exact Mass366.14
IUPAC Name1-[2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole
SMILESCn1cc(-c2ccc3cnn(-c4ccnc(N5CC(F)(F)C5)c4)c3c2)cn1
InChIInChI=1S/C19H16F2N6/c1-25-10-15(9-23-25)13-2-3-14-8-24-27(17(14)6-13)16-4-5-22-18(7-16)26-11-19(20,21)12-26/h2-10H,11-12H2,1H3
InChIKeyWQGFFIALLGKOTF-UHFFFAOYSA-N
XLogP3.28
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole?
The IUPAC name of 1-[2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole (CID 118930216) is 1-[2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole.
What is the SMILES notation for 1-[2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole?
The canonical SMILES for 1-[2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole is Cn1cc(-c2ccc3cnn(-c4ccnc(N5CC(F)(F)C5)c4)c3c2)cn1.
What is the InChIKey of 1-[2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole?
The InChIKey is WQGFFIALLGKOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N6/c1-25-10-15(9-23-25)13-2-3-14-8-24-27(17(14)6-13)16-4-5-22-18(7-16)26-11-19(20,21)12-26/h2-10H,11-12H2,1H3.
What are the key properties of 1-[2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole?
1-[2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole has a molecular weight of 366.38 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole is sourced from PubChem (CID 118930216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).