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

C22H15ClN8 — CID 155533987

IUPAC6-[2-[(5-chloro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole
SMILESClc1ccc(Cn2nccc2-c2ccc3nnn(-c4ccc5cn[nH]c5c4)c3c2)nc1
InChIInChI=1S/C22H15ClN8/c23-16-3-4-17(24-12-16)13-30-21(7-8-26-30)14-2-6-19-22(9-14)31(29-28-19)18-5-1-15-11-25-27-20(15)10-18/h1-12H,13H2,(H,25,27)
InChIKeyYHBLUOYXKHMEFO-UHFFFAOYSA-N
MW426.87 g/mol
LogP4.26
Rot. Bonds4

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

6-[2-[(5-chloro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole (PubChem CID 155533987) has the molecular formula C22H15ClN8 and a molecular weight of 426.87 g/mol. Its IUPAC name is 6-[2-[(5-chloro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole.

Molecular Properties

Compound Name6-[2-[(5-chloro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole
PubChem CID155533987
Molecular FormulaC22H15ClN8
Molecular Weight426.87 g/mol
Exact Mass426.11
IUPAC Name6-[2-[(5-chloro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole
SMILESClc1ccc(Cn2nccc2-c2ccc3nnn(-c4ccc5cn[nH]c5c4)c3c2)nc1
InChIInChI=1S/C22H15ClN8/c23-16-3-4-17(24-12-16)13-30-21(7-8-26-30)14-2-6-19-22(9-14)31(29-28-19)18-5-1-15-11-25-27-20(15)10-18/h1-12H,13H2,(H,25,27)
InChIKeyYHBLUOYXKHMEFO-UHFFFAOYSA-N
XLogP4.26
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.87
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(5-chloro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole?
The IUPAC name of 6-[2-[(5-chloro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole (CID 155533987) is 6-[2-[(5-chloro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole.
What is the SMILES notation for 6-[2-[(5-chloro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole?
The canonical SMILES for 6-[2-[(5-chloro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole is Clc1ccc(Cn2nccc2-c2ccc3nnn(-c4ccc5cn[nH]c5c4)c3c2)nc1.
What is the InChIKey of 6-[2-[(5-chloro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole?
The InChIKey is YHBLUOYXKHMEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN8/c23-16-3-4-17(24-12-16)13-30-21(7-8-26-30)14-2-6-19-22(9-14)31(29-28-19)18-5-1-15-11-25-27-20(15)10-18/h1-12H,13H2,(H,25,27).
What are the key properties of 6-[2-[(5-chloro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole?
6-[2-[(5-chloro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole has a molecular weight of 426.87 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(5-chloro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole is sourced from PubChem (CID 155533987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).