5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridin-3-ol

C20H15N5O — CID 135484456

IUPAC5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridin-3-ol
SMILESCc1c(O)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
InChIInChI=1S/C20H15N5O/c1-11-14(9-21-10-18(11)26)12-6-7-15-13(8-12)19(25-24-15)20-22-16-4-2-3-5-17(16)23-20/h2-10,26H,1H3,(H,22,23)(H,24,25)
InChIKeyUGACSUMQKHVXSM-UHFFFAOYSA-N
MW341.37 g/mol
LogP4.18
Rot. Bonds2

About 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridin-3-ol

5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridin-3-ol (PubChem CID 135484456) has the molecular formula C20H15N5O and a molecular weight of 341.37 g/mol. Its IUPAC name is 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridin-3-ol.

Molecular Properties

Compound Name5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridin-3-ol
PubChem CID135484456
Molecular FormulaC20H15N5O
Molecular Weight341.37 g/mol
Exact Mass341.13
IUPAC Name5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridin-3-ol
SMILESCc1c(O)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
InChIInChI=1S/C20H15N5O/c1-11-14(9-21-10-18(11)26)12-6-7-15-13(8-12)19(25-24-15)20-22-16-4-2-3-5-17(16)23-20/h2-10,26H,1H3,(H,22,23)(H,24,25)
InChIKeyUGACSUMQKHVXSM-UHFFFAOYSA-N
XLogP4.18
TPSA90.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridin-3-ol?
The IUPAC name of 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridin-3-ol (CID 135484456) is 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridin-3-ol.
What is the SMILES notation for 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridin-3-ol?
The canonical SMILES for 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridin-3-ol is Cc1c(O)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.
What is the InChIKey of 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridin-3-ol?
The InChIKey is UGACSUMQKHVXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O/c1-11-14(9-21-10-18(11)26)12-6-7-15-13(8-12)19(25-24-15)20-22-16-4-2-3-5-17(16)23-20/h2-10,26H,1H3,(H,22,23)(H,24,25).
What are the key properties of 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridin-3-ol?
5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridin-3-ol has a molecular weight of 341.37 g/mol, XLogP of 4.18, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridin-3-ol is sourced from PubChem (CID 135484456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).