5-methyl-3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol

C24H18N4O — CID 135988906

IUPAC5-methyl-3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol
SMILESCc1ccc2[nH]c(O)c(/C=c3\ccc4c(c3)N=NC=4/C=C/c3ccncc3)c2c1
InChIInChI=1S/C24H18N4O/c1-15-2-6-21-19(12-15)20(24(29)26-21)13-17-3-5-18-22(27-28-23(18)14-17)7-4-16-8-10-25-11-9-16/h2-14,26,29H,1H3/b7-4+,17-13+
InChIKeyXAWQWWGNYPKNQX-QCKOWFMMSA-N
MW378.44 g/mol
LogP4.32
Rot. Bonds3

About 5-methyl-3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol

5-methyl-3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol (PubChem CID 135988906) has the molecular formula C24H18N4O and a molecular weight of 378.44 g/mol. Its IUPAC name is 5-methyl-3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol.

Molecular Properties

Compound Name5-methyl-3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol
PubChem CID135988906
Molecular FormulaC24H18N4O
Molecular Weight378.44 g/mol
Exact Mass378.15
IUPAC Name5-methyl-3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol
SMILESCc1ccc2[nH]c(O)c(/C=c3\ccc4c(c3)N=NC=4/C=C/c3ccncc3)c2c1
InChIInChI=1S/C24H18N4O/c1-15-2-6-21-19(12-15)20(24(29)26-21)13-17-3-5-18-22(27-28-23(18)14-17)7-4-16-8-10-25-11-9-16/h2-14,26,29H,1H3/b7-4+,17-13+
InChIKeyXAWQWWGNYPKNQX-QCKOWFMMSA-N
XLogP4.32
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol?
The IUPAC name of 5-methyl-3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol (CID 135988906) is 5-methyl-3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol.
What is the SMILES notation for 5-methyl-3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol?
The canonical SMILES for 5-methyl-3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol is Cc1ccc2[nH]c(O)c(/C=c3\ccc4c(c3)N=NC=4/C=C/c3ccncc3)c2c1.
What is the InChIKey of 5-methyl-3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol?
The InChIKey is XAWQWWGNYPKNQX-QCKOWFMMSA-N. The full InChI is InChI=1S/C24H18N4O/c1-15-2-6-21-19(12-15)20(24(29)26-21)13-17-3-5-18-22(27-28-23(18)14-17)7-4-16-8-10-25-11-9-16/h2-14,26,29H,1H3/b7-4+,17-13+.
What are the key properties of 5-methyl-3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol?
5-methyl-3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol has a molecular weight of 378.44 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol is sourced from PubChem (CID 135988906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).