3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indole-2,5-diol

C23H16N4O2 — CID 135988947

IUPAC3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indole-2,5-diol
SMILESOc1ccc2[nH]c(O)c(/C=c3\ccc4c(c3)N=NC=4/C=C/c3ccncc3)c2c1
InChIInChI=1S/C23H16N4O2/c28-16-3-6-20-18(13-16)19(23(29)25-20)11-15-1-4-17-21(26-27-22(17)12-15)5-2-14-7-9-24-10-8-14/h1-13,25,28-29H/b5-2+,15-11+
InChIKeyIYFAUOUAPWVVOJ-OHISNVKYSA-N
MW380.41 g/mol
LogP3.72
Rot. Bonds3

About 3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indole-2,5-diol

3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indole-2,5-diol (PubChem CID 135988947) has the molecular formula C23H16N4O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indole-2,5-diol.

Molecular Properties

Compound Name3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indole-2,5-diol
PubChem CID135988947
Molecular FormulaC23H16N4O2
Molecular Weight380.41 g/mol
Exact Mass380.13
IUPAC Name3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indole-2,5-diol
SMILESOc1ccc2[nH]c(O)c(/C=c3\ccc4c(c3)N=NC=4/C=C/c3ccncc3)c2c1
InChIInChI=1S/C23H16N4O2/c28-16-3-6-20-18(13-16)19(23(29)25-20)11-15-1-4-17-21(26-27-22(17)12-15)5-2-14-7-9-24-10-8-14/h1-13,25,28-29H/b5-2+,15-11+
InChIKeyIYFAUOUAPWVVOJ-OHISNVKYSA-N
XLogP3.72
TPSA93.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indole-2,5-diol?
The IUPAC name of 3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indole-2,5-diol (CID 135988947) is 3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indole-2,5-diol.
What is the SMILES notation for 3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indole-2,5-diol?
The canonical SMILES for 3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indole-2,5-diol is Oc1ccc2[nH]c(O)c(/C=c3\ccc4c(c3)N=NC=4/C=C/c3ccncc3)c2c1.
What is the InChIKey of 3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indole-2,5-diol?
The InChIKey is IYFAUOUAPWVVOJ-OHISNVKYSA-N. The full InChI is InChI=1S/C23H16N4O2/c28-16-3-6-20-18(13-16)19(23(29)25-20)11-15-1-4-17-21(26-27-22(17)12-15)5-2-14-7-9-24-10-8-14/h1-13,25,28-29H/b5-2+,15-11+.
What are the key properties of 3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indole-2,5-diol?
3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indole-2,5-diol has a molecular weight of 380.41 g/mol, XLogP of 3.72, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indole-2,5-diol is sourced from PubChem (CID 135988947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).