[6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone

C21H18N6O2 — CID 118664056

IUPAC[6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone
SMILESNc1cncc(-c2ccc3cnn(-c4cccc(C(=O)N5CC(O)C5)n4)c3c2)c1
InChIInChI=1S/C21H18N6O2/c22-16-6-15(8-23-10-16)13-4-5-14-9-24-27(19(14)7-13)20-3-1-2-18(25-20)21(29)26-11-17(28)12-26/h1-10,17,28H,11-12,22H2
InChIKeyWSLZLEZHWIUPST-UHFFFAOYSA-N
MW386.42 g/mol
LogP1.88
Rot. Bonds3

About [6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone

[6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone (PubChem CID 118664056) has the molecular formula C21H18N6O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is [6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name[6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone
PubChem CID118664056
Molecular FormulaC21H18N6O2
Molecular Weight386.42 g/mol
Exact Mass386.15
IUPAC Name[6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone
SMILESNc1cncc(-c2ccc3cnn(-c4cccc(C(=O)N5CC(O)C5)n4)c3c2)c1
InChIInChI=1S/C21H18N6O2/c22-16-6-15(8-23-10-16)13-4-5-14-9-24-27(19(14)7-13)20-3-1-2-18(25-20)21(29)26-11-17(28)12-26/h1-10,17,28H,11-12,22H2
InChIKeyWSLZLEZHWIUPST-UHFFFAOYSA-N
XLogP1.88
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of [6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone (CID 118664056) is [6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for [6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for [6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone is Nc1cncc(-c2ccc3cnn(-c4cccc(C(=O)N5CC(O)C5)n4)c3c2)c1.
What is the InChIKey of [6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone?
The InChIKey is WSLZLEZHWIUPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2/c22-16-6-15(8-23-10-16)13-4-5-14-9-24-27(19(14)7-13)20-3-1-2-18(25-20)21(29)26-11-17(28)12-26/h1-10,17,28H,11-12,22H2.
What are the key properties of [6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone?
[6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone has a molecular weight of 386.42 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 118664056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).