5-(2-phenylethyl)-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole

C24H25N5 — CID 155511218

IUPAC5-(2-phenylethyl)-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole
SMILESc1ccc(CCc2ccc3[nH]nc(-c4ccc(N5CCNCC5)nc4)c3c2)cc1
InChIInChI=1S/C24H25N5/c1-2-4-18(5-3-1)6-7-19-8-10-22-21(16-19)24(28-27-22)20-9-11-23(26-17-20)29-14-12-25-13-15-29/h1-5,8-11,16-17,25H,6-7,12-15H2,(H,27,28)
InChIKeyMPLREUAIPISHOE-UHFFFAOYSA-N
MW383.50 g/mol
LogP3.82
Rot. Bonds5

About 5-(2-phenylethyl)-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole

5-(2-phenylethyl)-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole (PubChem CID 155511218) has the molecular formula C24H25N5 and a molecular weight of 383.50 g/mol. Its IUPAC name is 5-(2-phenylethyl)-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole.

Molecular Properties

Compound Name5-(2-phenylethyl)-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole
PubChem CID155511218
Molecular FormulaC24H25N5
Molecular Weight383.50 g/mol
Exact Mass383.21
IUPAC Name5-(2-phenylethyl)-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole
SMILESc1ccc(CCc2ccc3[nH]nc(-c4ccc(N5CCNCC5)nc4)c3c2)cc1
InChIInChI=1S/C24H25N5/c1-2-4-18(5-3-1)6-7-19-8-10-22-21(16-19)24(28-27-22)20-9-11-23(26-17-20)29-14-12-25-13-15-29/h1-5,8-11,16-17,25H,6-7,12-15H2,(H,27,28)
InChIKeyMPLREUAIPISHOE-UHFFFAOYSA-N
XLogP3.82
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylethyl)-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole?
The IUPAC name of 5-(2-phenylethyl)-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole (CID 155511218) is 5-(2-phenylethyl)-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole.
What is the SMILES notation for 5-(2-phenylethyl)-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole?
The canonical SMILES for 5-(2-phenylethyl)-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole is c1ccc(CCc2ccc3[nH]nc(-c4ccc(N5CCNCC5)nc4)c3c2)cc1.
What is the InChIKey of 5-(2-phenylethyl)-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole?
The InChIKey is MPLREUAIPISHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5/c1-2-4-18(5-3-1)6-7-19-8-10-22-21(16-19)24(28-27-22)20-9-11-23(26-17-20)29-14-12-25-13-15-29/h1-5,8-11,16-17,25H,6-7,12-15H2,(H,27,28).
What are the key properties of 5-(2-phenylethyl)-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole?
5-(2-phenylethyl)-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole has a molecular weight of 383.50 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethyl)-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole is sourced from PubChem (CID 155511218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).