4-chloro-6-[2-[(5-chloro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole

C22H14Cl2N8 — CID 155523951

IUPAC4-chloro-6-[2-[(5-chloro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole
SMILESClc1ccc(Cn2nccc2-c2cc(Cl)c3nnn(-c4ccc5cn[nH]c5c4)c3c2)nc1
InChIInChI=1S/C22H14Cl2N8/c23-15-2-3-16(25-11-15)12-31-20(5-6-27-31)14-7-18(24)22-21(8-14)32(30-29-22)17-4-1-13-10-26-28-19(13)9-17/h1-11H,12H2,(H,26,28)
InChIKeyZDOABTDZRAJXOA-UHFFFAOYSA-N
MW461.32 g/mol
LogP4.91
Rot. Bonds4

About 4-chloro-6-[2-[(5-chloro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole

4-chloro-6-[2-[(5-chloro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole (PubChem CID 155523951) has the molecular formula C22H14Cl2N8 and a molecular weight of 461.32 g/mol. Its IUPAC name is 4-chloro-6-[2-[(5-chloro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole.

Molecular Properties

Compound Name4-chloro-6-[2-[(5-chloro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole
PubChem CID155523951
Molecular FormulaC22H14Cl2N8
Molecular Weight461.32 g/mol
Exact Mass460.07
IUPAC Name4-chloro-6-[2-[(5-chloro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole
SMILESClc1ccc(Cn2nccc2-c2cc(Cl)c3nnn(-c4ccc5cn[nH]c5c4)c3c2)nc1
InChIInChI=1S/C22H14Cl2N8/c23-15-2-3-16(25-11-15)12-31-20(5-6-27-31)14-7-18(24)22-21(8-14)32(30-29-22)17-4-1-13-10-26-28-19(13)9-17/h1-11H,12H2,(H,26,28)
InChIKeyZDOABTDZRAJXOA-UHFFFAOYSA-N
XLogP4.91
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.32
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[2-[(5-chloro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole?
The IUPAC name of 4-chloro-6-[2-[(5-chloro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole (CID 155523951) is 4-chloro-6-[2-[(5-chloro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole.
What is the SMILES notation for 4-chloro-6-[2-[(5-chloro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole?
The canonical SMILES for 4-chloro-6-[2-[(5-chloro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole is Clc1ccc(Cn2nccc2-c2cc(Cl)c3nnn(-c4ccc5cn[nH]c5c4)c3c2)nc1.
What is the InChIKey of 4-chloro-6-[2-[(5-chloro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole?
The InChIKey is ZDOABTDZRAJXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2N8/c23-15-2-3-16(25-11-15)12-31-20(5-6-27-31)14-7-18(24)22-21(8-14)32(30-29-22)17-4-1-13-10-26-28-19(13)9-17/h1-11H,12H2,(H,26,28).
What are the key properties of 4-chloro-6-[2-[(5-chloro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole?
4-chloro-6-[2-[(5-chloro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole has a molecular weight of 461.32 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[2-[(5-chloro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole is sourced from PubChem (CID 155523951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).