1-(1H-indazol-6-yl)-6-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]benzotriazole

C22H16N8 — CID 155517112

IUPAC1-(1H-indazol-6-yl)-6-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]benzotriazole
SMILESc1cc(Cn2nccc2-c2ccc3nnn(-c4ccc5cn[nH]c5c4)c3c2)ccn1
InChIInChI=1S/C22H16N8/c1-3-18(12-20-17(1)13-24-26-20)30-22-11-16(2-4-19(22)27-28-30)21-7-10-25-29(21)14-15-5-8-23-9-6-15/h1-13H,14H2,(H,24,26)
InChIKeyFCBMWKSUZYVRLD-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.60
Rot. Bonds4

About 1-(1H-indazol-6-yl)-6-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]benzotriazole

1-(1H-indazol-6-yl)-6-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]benzotriazole (PubChem CID 155517112) has the molecular formula C22H16N8 and a molecular weight of 392.43 g/mol. Its IUPAC name is 1-(1H-indazol-6-yl)-6-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]benzotriazole.

Molecular Properties

Compound Name1-(1H-indazol-6-yl)-6-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]benzotriazole
PubChem CID155517112
Molecular FormulaC22H16N8
Molecular Weight392.43 g/mol
Exact Mass392.15
IUPAC Name1-(1H-indazol-6-yl)-6-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]benzotriazole
SMILESc1cc(Cn2nccc2-c2ccc3nnn(-c4ccc5cn[nH]c5c4)c3c2)ccn1
InChIInChI=1S/C22H16N8/c1-3-18(12-20-17(1)13-24-26-20)30-22-11-16(2-4-19(22)27-28-30)21-7-10-25-29(21)14-15-5-8-23-9-6-15/h1-13H,14H2,(H,24,26)
InChIKeyFCBMWKSUZYVRLD-UHFFFAOYSA-N
XLogP3.60
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-6-yl)-6-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]benzotriazole?
The IUPAC name of 1-(1H-indazol-6-yl)-6-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]benzotriazole (CID 155517112) is 1-(1H-indazol-6-yl)-6-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]benzotriazole.
What is the SMILES notation for 1-(1H-indazol-6-yl)-6-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]benzotriazole?
The canonical SMILES for 1-(1H-indazol-6-yl)-6-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]benzotriazole is c1cc(Cn2nccc2-c2ccc3nnn(-c4ccc5cn[nH]c5c4)c3c2)ccn1.
What is the InChIKey of 1-(1H-indazol-6-yl)-6-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]benzotriazole?
The InChIKey is FCBMWKSUZYVRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N8/c1-3-18(12-20-17(1)13-24-26-20)30-22-11-16(2-4-19(22)27-28-30)21-7-10-25-29(21)14-15-5-8-23-9-6-15/h1-13H,14H2,(H,24,26).
What are the key properties of 1-(1H-indazol-6-yl)-6-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]benzotriazole?
1-(1H-indazol-6-yl)-6-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]benzotriazole has a molecular weight of 392.43 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-6-yl)-6-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]benzotriazole is sourced from PubChem (CID 155517112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).