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

C26H26N6O2 — CID 135839307

IUPAC3-methoxy-4-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol
SMILESCOc1cc(O)ccc1-c1ccc2c(-c3nc4ccc(N5CCN(C)CC5)cc4[nH]3)n[nH]c2c1
InChIInChI=1S/C26H26N6O2/c1-31-9-11-32(12-10-31)17-4-8-21-23(14-17)28-26(27-21)25-20-6-3-16(13-22(20)29-30-25)19-7-5-18(33)15-24(19)34-2/h3-8,13-15,33H,9-12H2,1-2H3,(H,27,28)(H,29,30)
InChIKeyXVARKOKUVCKXQW-UHFFFAOYSA-N
MW454.53 g/mol
LogP4.24
Rot. Bonds4

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

3-methoxy-4-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol (PubChem CID 135839307) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is 3-methoxy-4-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol.

Molecular Properties

Compound Name3-methoxy-4-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol
PubChem CID135839307
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC Name3-methoxy-4-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol
SMILESCOc1cc(O)ccc1-c1ccc2c(-c3nc4ccc(N5CCN(C)CC5)cc4[nH]3)n[nH]c2c1
InChIInChI=1S/C26H26N6O2/c1-31-9-11-32(12-10-31)17-4-8-21-23(14-17)28-26(27-21)25-20-6-3-16(13-22(20)29-30-25)19-7-5-18(33)15-24(19)34-2/h3-8,13-15,33H,9-12H2,1-2H3,(H,27,28)(H,29,30)
InChIKeyXVARKOKUVCKXQW-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-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol?
The IUPAC name of 3-methoxy-4-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol (CID 135839307) is 3-methoxy-4-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol.
What is the SMILES notation for 3-methoxy-4-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol?
The canonical SMILES for 3-methoxy-4-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol is COc1cc(O)ccc1-c1ccc2c(-c3nc4ccc(N5CCN(C)CC5)cc4[nH]3)n[nH]c2c1.
What is the InChIKey of 3-methoxy-4-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol?
The InChIKey is XVARKOKUVCKXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2/c1-31-9-11-32(12-10-31)17-4-8-21-23(14-17)28-26(27-21)25-20-6-3-16(13-22(20)29-30-25)19-7-5-18(33)15-24(19)34-2/h3-8,13-15,33H,9-12H2,1-2H3,(H,27,28)(H,29,30).
What are the key properties of 3-methoxy-4-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol?
3-methoxy-4-[3-[6-(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-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol is sourced from PubChem (CID 135839307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).