3-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol

C26H26N6O2 — CID 135839312

IUPAC3-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol
SMILESCOc1cc(O)ccc1-c1ccc2c(-c3nc4c(N5CCN(C)CC5)cccc4[nH]3)n[nH]c2c1
InChIInChI=1S/C26H26N6O2/c1-31-10-12-32(13-11-31)22-5-3-4-20-25(22)28-26(27-20)24-19-8-6-16(14-21(19)29-30-24)18-9-7-17(33)15-23(18)34-2/h3-9,14-15,33H,10-13H2,1-2H3,(H,27,28)(H,29,30)
InChIKeyRQXOBAMSPDGWSL-UHFFFAOYSA-N
MW454.53 g/mol
LogP4.24
Rot. Bonds4

About 3-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol

3-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol (PubChem CID 135839312) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is 3-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol.

Molecular Properties

Compound Name3-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol
PubChem CID135839312
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC Name3-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol
SMILESCOc1cc(O)ccc1-c1ccc2c(-c3nc4c(N5CCN(C)CC5)cccc4[nH]3)n[nH]c2c1
InChIInChI=1S/C26H26N6O2/c1-31-10-12-32(13-11-31)22-5-3-4-20-25(22)28-26(27-20)24-19-8-6-16(14-21(19)29-30-24)18-9-7-17(33)15-23(18)34-2/h3-9,14-15,33H,10-13H2,1-2H3,(H,27,28)(H,29,30)
InChIKeyRQXOBAMSPDGWSL-UHFFFAOYSA-N
XLogP4.24
TPSA93.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol?
The IUPAC name of 3-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol (CID 135839312) is 3-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol.
What is the SMILES notation for 3-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol?
The canonical SMILES for 3-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol is COc1cc(O)ccc1-c1ccc2c(-c3nc4c(N5CCN(C)CC5)cccc4[nH]3)n[nH]c2c1.
What is the InChIKey of 3-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol?
The InChIKey is RQXOBAMSPDGWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2/c1-31-10-12-32(13-11-31)22-5-3-4-20-25(22)28-26(27-20)24-19-8-6-16(14-21(19)29-30-24)18-9-7-17(33)15-23(18)34-2/h3-9,14-15,33H,10-13H2,1-2H3,(H,27,28)(H,29,30).
What are the key properties of 3-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol?
3-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol has a molecular weight of 454.53 g/mol, XLogP of 4.24, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol is sourced from PubChem (CID 135839312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).