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

C22H14ClFN8 — CID 146433474

IUPAC4-chloro-6-[2-[(5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole
SMILESFc1ccc(Cn2nccc2-c2cc(Cl)c3nnn(-c4ccc5cn[nH]c5c4)c3c2)nc1
InChIInChI=1S/C22H14ClFN8/c23-18-7-14(20-5-6-27-31(20)12-16-3-2-15(24)11-25-16)8-21-22(18)29-30-32(21)17-4-1-13-10-26-28-19(13)9-17/h1-11H,12H2,(H,26,28)
InChIKeyFKAGBGQLBSHJDF-UHFFFAOYSA-N
MW444.86 g/mol
LogP4.40
Rot. Bonds4

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

4-chloro-6-[2-[(5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole (PubChem CID 146433474) has the molecular formula C22H14ClFN8 and a molecular weight of 444.86 g/mol. Its IUPAC name is 4-chloro-6-[2-[(5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole.

Molecular Properties

Compound Name4-chloro-6-[2-[(5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole
PubChem CID146433474
Molecular FormulaC22H14ClFN8
Molecular Weight444.86 g/mol
Exact Mass444.10
IUPAC Name4-chloro-6-[2-[(5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole
SMILESFc1ccc(Cn2nccc2-c2cc(Cl)c3nnn(-c4ccc5cn[nH]c5c4)c3c2)nc1
InChIInChI=1S/C22H14ClFN8/c23-18-7-14(20-5-6-27-31(20)12-16-3-2-15(24)11-25-16)8-21-22(18)29-30-32(21)17-4-1-13-10-26-28-19(13)9-17/h1-11H,12H2,(H,26,28)
InChIKeyFKAGBGQLBSHJDF-UHFFFAOYSA-N
XLogP4.40
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.86
LogP ≤ 54.40
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-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole?
The IUPAC name of 4-chloro-6-[2-[(5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole (CID 146433474) is 4-chloro-6-[2-[(5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole.
What is the SMILES notation for 4-chloro-6-[2-[(5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole?
The canonical SMILES for 4-chloro-6-[2-[(5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole is Fc1ccc(Cn2nccc2-c2cc(Cl)c3nnn(-c4ccc5cn[nH]c5c4)c3c2)nc1.
What is the InChIKey of 4-chloro-6-[2-[(5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole?
The InChIKey is FKAGBGQLBSHJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClFN8/c23-18-7-14(20-5-6-27-31(20)12-16-3-2-15(24)11-25-16)8-21-22(18)29-30-32(21)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-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole?
4-chloro-6-[2-[(5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole has a molecular weight of 444.86 g/mol, XLogP of 4.40, 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-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole is sourced from PubChem (CID 146433474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).