6-(1-methylpyrazol-4-yl)-1-(2-piperidin-1-yl-4-pyridinyl)indazole

C21H22N6 — CID 140893710

IUPAC6-(1-methylpyrazol-4-yl)-1-(2-piperidin-1-yl-4-pyridinyl)indazole
SMILESCn1cc(-c2ccc3cnn(-c4ccnc(N5CCCCC5)c4)c3c2)cn1
InChIInChI=1S/C21H22N6/c1-25-15-18(14-23-25)16-5-6-17-13-24-27(20(17)11-16)19-7-8-22-21(12-19)26-9-3-2-4-10-26/h5-8,11-15H,2-4,9-10H2,1H3
InChIKeyXAZNSUXEQGYGFT-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.81
Rot. Bonds3

About 6-(1-methylpyrazol-4-yl)-1-(2-piperidin-1-yl-4-pyridinyl)indazole

6-(1-methylpyrazol-4-yl)-1-(2-piperidin-1-yl-4-pyridinyl)indazole (PubChem CID 140893710) has the molecular formula C21H22N6 and a molecular weight of 358.45 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-1-(2-piperidin-1-yl-4-pyridinyl)indazole.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-1-(2-piperidin-1-yl-4-pyridinyl)indazole
PubChem CID140893710
Molecular FormulaC21H22N6
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC Name6-(1-methylpyrazol-4-yl)-1-(2-piperidin-1-yl-4-pyridinyl)indazole
SMILESCn1cc(-c2ccc3cnn(-c4ccnc(N5CCCCC5)c4)c3c2)cn1
InChIInChI=1S/C21H22N6/c1-25-15-18(14-23-25)16-5-6-17-13-24-27(20(17)11-16)19-7-8-22-21(12-19)26-9-3-2-4-10-26/h5-8,11-15H,2-4,9-10H2,1H3
InChIKeyXAZNSUXEQGYGFT-UHFFFAOYSA-N
XLogP3.81
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-1-(2-piperidin-1-yl-4-pyridinyl)indazole?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-1-(2-piperidin-1-yl-4-pyridinyl)indazole (CID 140893710) is 6-(1-methylpyrazol-4-yl)-1-(2-piperidin-1-yl-4-pyridinyl)indazole.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-1-(2-piperidin-1-yl-4-pyridinyl)indazole?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-1-(2-piperidin-1-yl-4-pyridinyl)indazole is Cn1cc(-c2ccc3cnn(-c4ccnc(N5CCCCC5)c4)c3c2)cn1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-1-(2-piperidin-1-yl-4-pyridinyl)indazole?
The InChIKey is XAZNSUXEQGYGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6/c1-25-15-18(14-23-25)16-5-6-17-13-24-27(20(17)11-16)19-7-8-22-21(12-19)26-9-3-2-4-10-26/h5-8,11-15H,2-4,9-10H2,1H3.
What are the key properties of 6-(1-methylpyrazol-4-yl)-1-(2-piperidin-1-yl-4-pyridinyl)indazole?
6-(1-methylpyrazol-4-yl)-1-(2-piperidin-1-yl-4-pyridinyl)indazole has a molecular weight of 358.45 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-1-(2-piperidin-1-yl-4-pyridinyl)indazole is sourced from PubChem (CID 140893710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).