3-[(E)-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indazol-6-ylidene]methyl]-1H-indol-2-ol

C26H24N6O — CID 135985503

IUPAC3-[(E)-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indazol-6-ylidene]methyl]-1H-indol-2-ol
SMILESCN1CCN(c2ccc(C3=c4cc/c(=C\c5c(O)[nH]c6ccccc56)cc4N=N3)cn2)CC1
InChIInChI=1S/C26H24N6O/c1-31-10-12-32(13-11-31)24-9-7-18(16-27-24)25-20-8-6-17(15-23(20)29-30-25)14-21-19-4-2-3-5-22(19)28-26(21)33/h2-9,14-16,28,33H,10-13H2,1H3/b17-14+
InChIKeyVWHGQKZMDITLSK-SAPNQHFASA-N
MW436.52 g/mol
LogP3.10
Rot. Bonds3

About 3-[(E)-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indazol-6-ylidene]methyl]-1H-indol-2-ol

3-[(E)-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indazol-6-ylidene]methyl]-1H-indol-2-ol (PubChem CID 135985503) has the molecular formula C26H24N6O and a molecular weight of 436.52 g/mol. Its IUPAC name is 3-[(E)-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indazol-6-ylidene]methyl]-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(E)-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indazol-6-ylidene]methyl]-1H-indol-2-ol
PubChem CID135985503
Molecular FormulaC26H24N6O
Molecular Weight436.52 g/mol
Exact Mass436.20
IUPAC Name3-[(E)-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indazol-6-ylidene]methyl]-1H-indol-2-ol
SMILESCN1CCN(c2ccc(C3=c4cc/c(=C\c5c(O)[nH]c6ccccc56)cc4N=N3)cn2)CC1
InChIInChI=1S/C26H24N6O/c1-31-10-12-32(13-11-31)24-9-7-18(16-27-24)25-20-8-6-17(15-23(20)29-30-25)14-21-19-4-2-3-5-22(19)28-26(21)33/h2-9,14-16,28,33H,10-13H2,1H3/b17-14+
InChIKeyVWHGQKZMDITLSK-SAPNQHFASA-N
XLogP3.10
TPSA80.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indazol-6-ylidene]methyl]-1H-indol-2-ol?
The IUPAC name of 3-[(E)-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indazol-6-ylidene]methyl]-1H-indol-2-ol (CID 135985503) is 3-[(E)-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indazol-6-ylidene]methyl]-1H-indol-2-ol.
What is the SMILES notation for 3-[(E)-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indazol-6-ylidene]methyl]-1H-indol-2-ol?
The canonical SMILES for 3-[(E)-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indazol-6-ylidene]methyl]-1H-indol-2-ol is CN1CCN(c2ccc(C3=c4cc/c(=C\c5c(O)[nH]c6ccccc56)cc4N=N3)cn2)CC1.
What is the InChIKey of 3-[(E)-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indazol-6-ylidene]methyl]-1H-indol-2-ol?
The InChIKey is VWHGQKZMDITLSK-SAPNQHFASA-N. The full InChI is InChI=1S/C26H24N6O/c1-31-10-12-32(13-11-31)24-9-7-18(16-27-24)25-20-8-6-17(15-23(20)29-30-25)14-21-19-4-2-3-5-22(19)28-26(21)33/h2-9,14-16,28,33H,10-13H2,1H3/b17-14+.
What are the key properties of 3-[(E)-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indazol-6-ylidene]methyl]-1H-indol-2-ol?
3-[(E)-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indazol-6-ylidene]methyl]-1H-indol-2-ol has a molecular weight of 436.52 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indazol-6-ylidene]methyl]-1H-indol-2-ol is sourced from PubChem (CID 135985503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).