1-(2-piperidin-1-yl-4-pyridinyl)-6-propan-2-yloxyindazole

C20H24N4O — CID 118930239

IUPAC1-(2-piperidin-1-yl-4-pyridinyl)-6-propan-2-yloxyindazole
SMILESCC(C)Oc1ccc2cnn(-c3ccnc(N4CCCCC4)c3)c2c1
InChIInChI=1S/C20H24N4O/c1-15(2)25-18-7-6-16-14-22-24(19(16)13-18)17-8-9-21-20(12-17)23-10-4-3-5-11-23/h6-9,12-15H,3-5,10-11H2,1-2H3
InChIKeyWAKNHNAPWCURBS-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.20
Rot. Bonds4

About 1-(2-piperidin-1-yl-4-pyridinyl)-6-propan-2-yloxyindazole

1-(2-piperidin-1-yl-4-pyridinyl)-6-propan-2-yloxyindazole (PubChem CID 118930239) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-(2-piperidin-1-yl-4-pyridinyl)-6-propan-2-yloxyindazole.

Molecular Properties

Compound Name1-(2-piperidin-1-yl-4-pyridinyl)-6-propan-2-yloxyindazole
PubChem CID118930239
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name1-(2-piperidin-1-yl-4-pyridinyl)-6-propan-2-yloxyindazole
SMILESCC(C)Oc1ccc2cnn(-c3ccnc(N4CCCCC4)c3)c2c1
InChIInChI=1S/C20H24N4O/c1-15(2)25-18-7-6-16-14-22-24(19(16)13-18)17-8-9-21-20(12-17)23-10-4-3-5-11-23/h6-9,12-15H,3-5,10-11H2,1-2H3
InChIKeyWAKNHNAPWCURBS-UHFFFAOYSA-N
XLogP4.20
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-1-yl-4-pyridinyl)-6-propan-2-yloxyindazole?
The IUPAC name of 1-(2-piperidin-1-yl-4-pyridinyl)-6-propan-2-yloxyindazole (CID 118930239) is 1-(2-piperidin-1-yl-4-pyridinyl)-6-propan-2-yloxyindazole.
What is the SMILES notation for 1-(2-piperidin-1-yl-4-pyridinyl)-6-propan-2-yloxyindazole?
The canonical SMILES for 1-(2-piperidin-1-yl-4-pyridinyl)-6-propan-2-yloxyindazole is CC(C)Oc1ccc2cnn(-c3ccnc(N4CCCCC4)c3)c2c1.
What is the InChIKey of 1-(2-piperidin-1-yl-4-pyridinyl)-6-propan-2-yloxyindazole?
The InChIKey is WAKNHNAPWCURBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-15(2)25-18-7-6-16-14-22-24(19(16)13-18)17-8-9-21-20(12-17)23-10-4-3-5-11-23/h6-9,12-15H,3-5,10-11H2,1-2H3.
What are the key properties of 1-(2-piperidin-1-yl-4-pyridinyl)-6-propan-2-yloxyindazole?
1-(2-piperidin-1-yl-4-pyridinyl)-6-propan-2-yloxyindazole has a molecular weight of 336.44 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-1-yl-4-pyridinyl)-6-propan-2-yloxyindazole is sourced from PubChem (CID 118930239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).