6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole

C16H16ClN5 — CID 121326217

IUPAC6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole
SMILESClc1cc(N2CCN(c3ccncc3)CC2)c2cn[nH]c2c1
InChIInChI=1S/C16H16ClN5/c17-12-9-15-14(11-19-20-15)16(10-12)22-7-5-21(6-8-22)13-1-3-18-4-2-13/h1-4,9-11H,5-8H2,(H,19,20)
InChIKeyKQKZOTOECCLGHV-UHFFFAOYSA-N
MW313.79 g/mol
LogP2.94
Rot. Bonds2

About 6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole

6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole (PubChem CID 121326217) has the molecular formula C16H16ClN5 and a molecular weight of 313.79 g/mol. Its IUPAC name is 6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole.

Molecular Properties

Compound Name6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole
PubChem CID121326217
Molecular FormulaC16H16ClN5
Molecular Weight313.79 g/mol
Exact Mass313.11
IUPAC Name6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole
SMILESClc1cc(N2CCN(c3ccncc3)CC2)c2cn[nH]c2c1
InChIInChI=1S/C16H16ClN5/c17-12-9-15-14(11-19-20-15)16(10-12)22-7-5-21(6-8-22)13-1-3-18-4-2-13/h1-4,9-11H,5-8H2,(H,19,20)
InChIKeyKQKZOTOECCLGHV-UHFFFAOYSA-N
XLogP2.94
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole?
The IUPAC name of 6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole (CID 121326217) is 6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole.
What is the SMILES notation for 6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole?
The canonical SMILES for 6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole is Clc1cc(N2CCN(c3ccncc3)CC2)c2cn[nH]c2c1.
What is the InChIKey of 6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole?
The InChIKey is KQKZOTOECCLGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5/c17-12-9-15-14(11-19-20-15)16(10-12)22-7-5-21(6-8-22)13-1-3-18-4-2-13/h1-4,9-11H,5-8H2,(H,19,20).
What are the key properties of 6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole?
6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole has a molecular weight of 313.79 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole is sourced from PubChem (CID 121326217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).