1-[2-(azetidin-1-yl)-4-pyridinyl]-6-propan-2-yloxyindazole

C18H20N4O — CID 118930310

IUPAC1-[2-(azetidin-1-yl)-4-pyridinyl]-6-propan-2-yloxyindazole
SMILESCC(C)Oc1ccc2cnn(-c3ccnc(N4CCC4)c3)c2c1
InChIInChI=1S/C18H20N4O/c1-13(2)23-16-5-4-14-12-20-22(17(14)11-16)15-6-7-19-18(10-15)21-8-3-9-21/h4-7,10-13H,3,8-9H2,1-2H3
InChIKeyUDGHAWCBPKFZBK-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.42
Rot. Bonds4

About 1-[2-(azetidin-1-yl)-4-pyridinyl]-6-propan-2-yloxyindazole

1-[2-(azetidin-1-yl)-4-pyridinyl]-6-propan-2-yloxyindazole (PubChem CID 118930310) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 1-[2-(azetidin-1-yl)-4-pyridinyl]-6-propan-2-yloxyindazole.

Molecular Properties

Compound Name1-[2-(azetidin-1-yl)-4-pyridinyl]-6-propan-2-yloxyindazole
PubChem CID118930310
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name1-[2-(azetidin-1-yl)-4-pyridinyl]-6-propan-2-yloxyindazole
SMILESCC(C)Oc1ccc2cnn(-c3ccnc(N4CCC4)c3)c2c1
InChIInChI=1S/C18H20N4O/c1-13(2)23-16-5-4-14-12-20-22(17(14)11-16)15-6-7-19-18(10-15)21-8-3-9-21/h4-7,10-13H,3,8-9H2,1-2H3
InChIKeyUDGHAWCBPKFZBK-UHFFFAOYSA-N
XLogP3.42
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-1-yl)-4-pyridinyl]-6-propan-2-yloxyindazole?
The IUPAC name of 1-[2-(azetidin-1-yl)-4-pyridinyl]-6-propan-2-yloxyindazole (CID 118930310) is 1-[2-(azetidin-1-yl)-4-pyridinyl]-6-propan-2-yloxyindazole.
What is the SMILES notation for 1-[2-(azetidin-1-yl)-4-pyridinyl]-6-propan-2-yloxyindazole?
The canonical SMILES for 1-[2-(azetidin-1-yl)-4-pyridinyl]-6-propan-2-yloxyindazole is CC(C)Oc1ccc2cnn(-c3ccnc(N4CCC4)c3)c2c1.
What is the InChIKey of 1-[2-(azetidin-1-yl)-4-pyridinyl]-6-propan-2-yloxyindazole?
The InChIKey is UDGHAWCBPKFZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-13(2)23-16-5-4-14-12-20-22(17(14)11-16)15-6-7-19-18(10-15)21-8-3-9-21/h4-7,10-13H,3,8-9H2,1-2H3.
What are the key properties of 1-[2-(azetidin-1-yl)-4-pyridinyl]-6-propan-2-yloxyindazole?
1-[2-(azetidin-1-yl)-4-pyridinyl]-6-propan-2-yloxyindazole has a molecular weight of 308.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azetidin-1-yl)-4-pyridinyl]-6-propan-2-yloxyindazole is sourced from PubChem (CID 118930310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).