3-[(E)-[3-[(E)-2-pyridin-3-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol

C23H16N4O — CID 135985512

IUPAC3-[(E)-[3-[(E)-2-pyridin-3-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/C=c1\ccc2c(c1)N=NC=2/C=C/c1cccnc1
InChIInChI=1S/C23H16N4O/c28-23-19(17-5-1-2-6-20(17)25-23)12-16-7-9-18-21(26-27-22(18)13-16)10-8-15-4-3-11-24-14-15/h1-14,25,28H/b10-8+,16-12+
InChIKeyWTJCFXOTSLOIAW-PJUKHBDCSA-N
MW364.41 g/mol
LogP4.02
Rot. Bonds3

About 3-[(E)-[3-[(E)-2-pyridin-3-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol

3-[(E)-[3-[(E)-2-pyridin-3-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol (PubChem CID 135985512) has the molecular formula C23H16N4O and a molecular weight of 364.41 g/mol. Its IUPAC name is 3-[(E)-[3-[(E)-2-pyridin-3-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(E)-[3-[(E)-2-pyridin-3-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol
PubChem CID135985512
Molecular FormulaC23H16N4O
Molecular Weight364.41 g/mol
Exact Mass364.13
IUPAC Name3-[(E)-[3-[(E)-2-pyridin-3-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/C=c1\ccc2c(c1)N=NC=2/C=C/c1cccnc1
InChIInChI=1S/C23H16N4O/c28-23-19(17-5-1-2-6-20(17)25-23)12-16-7-9-18-21(26-27-22(18)13-16)10-8-15-4-3-11-24-14-15/h1-14,25,28H/b10-8+,16-12+
InChIKeyWTJCFXOTSLOIAW-PJUKHBDCSA-N
XLogP4.02
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-[3-[(E)-2-pyridin-3-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol?
The IUPAC name of 3-[(E)-[3-[(E)-2-pyridin-3-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol (CID 135985512) is 3-[(E)-[3-[(E)-2-pyridin-3-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol.
What is the SMILES notation for 3-[(E)-[3-[(E)-2-pyridin-3-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol?
The canonical SMILES for 3-[(E)-[3-[(E)-2-pyridin-3-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol is Oc1[nH]c2ccccc2c1/C=c1\ccc2c(c1)N=NC=2/C=C/c1cccnc1.
What is the InChIKey of 3-[(E)-[3-[(E)-2-pyridin-3-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol?
The InChIKey is WTJCFXOTSLOIAW-PJUKHBDCSA-N. The full InChI is InChI=1S/C23H16N4O/c28-23-19(17-5-1-2-6-20(17)25-23)12-16-7-9-18-21(26-27-22(18)13-16)10-8-15-4-3-11-24-14-15/h1-14,25,28H/b10-8+,16-12+.
What are the key properties of 3-[(E)-[3-[(E)-2-pyridin-3-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol?
3-[(E)-[3-[(E)-2-pyridin-3-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol has a molecular weight of 364.41 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-[3-[(E)-2-pyridin-3-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol is sourced from PubChem (CID 135985512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).