6-benzylsulfonyl-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole

C20H15N5O2S — CID 155033170

IUPAC6-benzylsulfonyl-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole
SMILESO=S(=O)(Cc1ccccc1)c1nc2cc3[nH][nH]c(-c4ccncc4)c3cc2n1
InChIInChI=1S/C20H15N5O2S/c26-28(27,12-13-4-2-1-3-5-13)20-22-17-10-15-16(11-18(17)23-20)24-25-19(15)14-6-8-21-9-7-14/h1-11,24-25H,12H2
InChIKeyLVGBNYWCBQXOBQ-UHFFFAOYSA-N
MW389.44 g/mol
LogP3.48
Rot. Bonds4

About 6-benzylsulfonyl-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole

6-benzylsulfonyl-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole (PubChem CID 155033170) has the molecular formula C20H15N5O2S and a molecular weight of 389.44 g/mol. Its IUPAC name is 6-benzylsulfonyl-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole.

Molecular Properties

Compound Name6-benzylsulfonyl-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole
PubChem CID155033170
Molecular FormulaC20H15N5O2S
Molecular Weight389.44 g/mol
Exact Mass389.09
IUPAC Name6-benzylsulfonyl-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole
SMILESO=S(=O)(Cc1ccccc1)c1nc2cc3[nH][nH]c(-c4ccncc4)c3cc2n1
InChIInChI=1S/C20H15N5O2S/c26-28(27,12-13-4-2-1-3-5-13)20-22-17-10-15-16(11-18(17)23-20)24-25-19(15)14-6-8-21-9-7-14/h1-11,24-25H,12H2
InChIKeyLVGBNYWCBQXOBQ-UHFFFAOYSA-N
XLogP3.48
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-benzylsulfonyl-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole?
The IUPAC name of 6-benzylsulfonyl-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole (CID 155033170) is 6-benzylsulfonyl-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole.
What is the SMILES notation for 6-benzylsulfonyl-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole?
The canonical SMILES for 6-benzylsulfonyl-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole is O=S(=O)(Cc1ccccc1)c1nc2cc3[nH][nH]c(-c4ccncc4)c3cc2n1.
What is the InChIKey of 6-benzylsulfonyl-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole?
The InChIKey is LVGBNYWCBQXOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2S/c26-28(27,12-13-4-2-1-3-5-13)20-22-17-10-15-16(11-18(17)23-20)24-25-19(15)14-6-8-21-9-7-14/h1-11,24-25H,12H2.
What are the key properties of 6-benzylsulfonyl-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole?
6-benzylsulfonyl-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole has a molecular weight of 389.44 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzylsulfonyl-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole is sourced from PubChem (CID 155033170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).