1-[(3-bromo-2-pyridinyl)methyl]-3-phenylindazole;1-(2-methyl-3-pyridinyl)-3-phenylindazole;3-phenyl-1-(pyrazin-2-ylmethyl)indazole;3-phenyl-1-(pyridin-2-ylmethyl)indazole

C75H58BrN13 — CID 158946004

IUPAC1-[(3-bromo-2-pyridinyl)methyl]-3-phenylindazole;1-(2-methyl-3-pyridinyl)-3-phenylindazole;3-phenyl-1-(pyrazin-2-ylmethyl)indazole;3-phenyl-1-(pyridin-2-ylmethyl)indazole
SMILESBrc1cccnc1Cn1nc(-c2ccccc2)c2ccccc21.Cc1ncccc1-n1nc(-c2ccccc2)c2ccccc21.c1ccc(-c2nn(Cc3ccccn3)c3ccccc23)cc1.c1ccc(-c2nn(Cc3cnccn3)c3ccccc23)cc1
InChIInChI=1S/C19H14BrN3.2C19H15N3.C18H14N4/c20-16-10-6-12-21-17(16)13-23-18-11-5-4-9-15(18)19(22-23)14-7-2-1-3-8-14;1-14-17(12-7-13-20-14)22-18-11-6-5-10-16(18)19(21-22)15-8-3-2-4-9-15;1-2-8-15(9-3-1)19-17-11-4-5-12-18(17)22(21-19)14-16-10-6-7-13-20-16;1-2-6-14(7-3-1)18-16-8-4-5-9-17(16)22(21-18)13-15-12-19-10-11-20-15/h1-12H,13H2;2-13H,1H3;1-13H,14H2;1-12H,13H2
InChIKeyJKVFRKGTXAVNJF-UHFFFAOYSA-N
MW1221.28 g/mol
LogP16.99
Rot. Bonds11

About 1-[(3-bromo-2-pyridinyl)methyl]-3-phenylindazole;1-(2-methyl-3-pyridinyl)-3-phenylindazole;3-phenyl-1-(pyrazin-2-ylmethyl)indazole;3-phenyl-1-(pyridin-2-ylmethyl)indazole

1-[(3-bromo-2-pyridinyl)methyl]-3-phenylindazole;1-(2-methyl-3-pyridinyl)-3-phenylindazole;3-phenyl-1-(pyrazin-2-ylmethyl)indazole;3-phenyl-1-(pyridin-2-ylmethyl)indazole (PubChem CID 158946004) has the molecular formula C75H58BrN13 and a molecular weight of 1221.28 g/mol. Its IUPAC name is 1-[(3-bromo-2-pyridinyl)methyl]-3-phenylindazole;1-(2-methyl-3-pyridinyl)-3-phenylindazole;3-phenyl-1-(pyrazin-2-ylmethyl)indazole;3-phenyl-1-(pyridin-2-ylmethyl)indazole.

Molecular Properties

Compound Name1-[(3-bromo-2-pyridinyl)methyl]-3-phenylindazole;1-(2-methyl-3-pyridinyl)-3-phenylindazole;3-phenyl-1-(pyrazin-2-ylmethyl)indazole;3-phenyl-1-(pyridin-2-ylmethyl)indazole
PubChem CID158946004
Molecular FormulaC75H58BrN13
Molecular Weight1221.28 g/mol
Exact Mass1219.41
IUPAC Name1-[(3-bromo-2-pyridinyl)methyl]-3-phenylindazole;1-(2-methyl-3-pyridinyl)-3-phenylindazole;3-phenyl-1-(pyrazin-2-ylmethyl)indazole;3-phenyl-1-(pyridin-2-ylmethyl)indazole
SMILESBrc1cccnc1Cn1nc(-c2ccccc2)c2ccccc21.Cc1ncccc1-n1nc(-c2ccccc2)c2ccccc21.c1ccc(-c2nn(Cc3ccccn3)c3ccccc23)cc1.c1ccc(-c2nn(Cc3cnccn3)c3ccccc23)cc1
InChIInChI=1S/C19H14BrN3.2C19H15N3.C18H14N4/c20-16-10-6-12-21-17(16)13-23-18-11-5-4-9-15(18)19(22-23)14-7-2-1-3-8-14;1-14-17(12-7-13-20-14)22-18-11-6-5-10-16(18)19(21-22)15-8-3-2-4-9-15;1-2-8-15(9-3-1)19-17-11-4-5-12-18(17)22(21-19)14-16-10-6-7-13-20-16;1-2-6-14(7-3-1)18-16-8-4-5-9-17(16)22(21-18)13-15-12-19-10-11-20-15/h1-12H,13H2;2-13H,1H3;1-13H,14H2;1-12H,13H2
InChIKeyJKVFRKGTXAVNJF-UHFFFAOYSA-N
XLogP16.99
TPSA135.73 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001221.28
LogP ≤ 516.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-2-pyridinyl)methyl]-3-phenylindazole;1-(2-methyl-3-pyridinyl)-3-phenylindazole;3-phenyl-1-(pyrazin-2-ylmethyl)indazole;3-phenyl-1-(pyridin-2-ylmethyl)indazole?
The IUPAC name of 1-[(3-bromo-2-pyridinyl)methyl]-3-phenylindazole;1-(2-methyl-3-pyridinyl)-3-phenylindazole;3-phenyl-1-(pyrazin-2-ylmethyl)indazole;3-phenyl-1-(pyridin-2-ylmethyl)indazole (CID 158946004) is 1-[(3-bromo-2-pyridinyl)methyl]-3-phenylindazole;1-(2-methyl-3-pyridinyl)-3-phenylindazole;3-phenyl-1-(pyrazin-2-ylmethyl)indazole;3-phenyl-1-(pyridin-2-ylmethyl)indazole.
What is the SMILES notation for 1-[(3-bromo-2-pyridinyl)methyl]-3-phenylindazole;1-(2-methyl-3-pyridinyl)-3-phenylindazole;3-phenyl-1-(pyrazin-2-ylmethyl)indazole;3-phenyl-1-(pyridin-2-ylmethyl)indazole?
The canonical SMILES for 1-[(3-bromo-2-pyridinyl)methyl]-3-phenylindazole;1-(2-methyl-3-pyridinyl)-3-phenylindazole;3-phenyl-1-(pyrazin-2-ylmethyl)indazole;3-phenyl-1-(pyridin-2-ylmethyl)indazole is Brc1cccnc1Cn1nc(-c2ccccc2)c2ccccc21.Cc1ncccc1-n1nc(-c2ccccc2)c2ccccc21.c1ccc(-c2nn(Cc3ccccn3)c3ccccc23)cc1.c1ccc(-c2nn(Cc3cnccn3)c3ccccc23)cc1.
What is the InChIKey of 1-[(3-bromo-2-pyridinyl)methyl]-3-phenylindazole;1-(2-methyl-3-pyridinyl)-3-phenylindazole;3-phenyl-1-(pyrazin-2-ylmethyl)indazole;3-phenyl-1-(pyridin-2-ylmethyl)indazole?
The InChIKey is JKVFRKGTXAVNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN3.2C19H15N3.C18H14N4/c20-16-10-6-12-21-17(16)13-23-18-11-5-4-9-15(18)19(22-23)14-7-2-1-3-8-14;1-14-17(12-7-13-20-14)22-18-11-6-5-10-16(18)19(21-22)15-8-3-2-4-9-15;1-2-8-15(9-3-1)19-17-11-4-5-12-18(17)22(21-19)14-16-10-6-7-13-20-16;1-2-6-14(7-3-1)18-16-8-4-5-9-17(16)22(21-18)13-15-12-19-10-11-20-15/h1-12H,13H2;2-13H,1H3;1-13H,14H2;1-12H,13H2.
What are the key properties of 1-[(3-bromo-2-pyridinyl)methyl]-3-phenylindazole;1-(2-methyl-3-pyridinyl)-3-phenylindazole;3-phenyl-1-(pyrazin-2-ylmethyl)indazole;3-phenyl-1-(pyridin-2-ylmethyl)indazole?
1-[(3-bromo-2-pyridinyl)methyl]-3-phenylindazole;1-(2-methyl-3-pyridinyl)-3-phenylindazole;3-phenyl-1-(pyrazin-2-ylmethyl)indazole;3-phenyl-1-(pyridin-2-ylmethyl)indazole has a molecular weight of 1221.28 g/mol, XLogP of 16.99, 11 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-2-pyridinyl)methyl]-3-phenylindazole;1-(2-methyl-3-pyridinyl)-3-phenylindazole;3-phenyl-1-(pyrazin-2-ylmethyl)indazole;3-phenyl-1-(pyridin-2-ylmethyl)indazole is sourced from PubChem (CID 158946004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).