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

C24H18N4O2 — CID 135988950

IUPAC5-methoxy-3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol
SMILESCOc1ccc2[nH]c(O)c(/C=c3\ccc4c(c3)N=NC=4/C=C/c3ccncc3)c2c1
InChIInChI=1S/C24H18N4O2/c1-30-17-4-7-21-19(14-17)20(24(29)26-21)12-16-2-5-18-22(27-28-23(18)13-16)6-3-15-8-10-25-11-9-15/h2-14,26,29H,1H3/b6-3+,16-12+
InChIKeyYDVOKQAYMOYIGR-KRHFYKKRSA-N
MW394.43 g/mol
LogP4.02
Rot. Bonds4

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

5-methoxy-3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol (PubChem CID 135988950) has the molecular formula C24H18N4O2 and a molecular weight of 394.43 g/mol. Its IUPAC name is 5-methoxy-3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol.

Molecular Properties

Compound Name5-methoxy-3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol
PubChem CID135988950
Molecular FormulaC24H18N4O2
Molecular Weight394.43 g/mol
Exact Mass394.14
IUPAC Name5-methoxy-3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol
SMILESCOc1ccc2[nH]c(O)c(/C=c3\ccc4c(c3)N=NC=4/C=C/c3ccncc3)c2c1
InChIInChI=1S/C24H18N4O2/c1-30-17-4-7-21-19(14-17)20(24(29)26-21)12-16-2-5-18-22(27-28-23(18)13-16)6-3-15-8-10-25-11-9-15/h2-14,26,29H,1H3/b6-3+,16-12+
InChIKeyYDVOKQAYMOYIGR-KRHFYKKRSA-N
XLogP4.02
TPSA82.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol?
The IUPAC name of 5-methoxy-3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol (CID 135988950) is 5-methoxy-3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol.
What is the SMILES notation for 5-methoxy-3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol?
The canonical SMILES for 5-methoxy-3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol is COc1ccc2[nH]c(O)c(/C=c3\ccc4c(c3)N=NC=4/C=C/c3ccncc3)c2c1.
What is the InChIKey of 5-methoxy-3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol?
The InChIKey is YDVOKQAYMOYIGR-KRHFYKKRSA-N. The full InChI is InChI=1S/C24H18N4O2/c1-30-17-4-7-21-19(14-17)20(24(29)26-21)12-16-2-5-18-22(27-28-23(18)13-16)6-3-15-8-10-25-11-9-15/h2-14,26,29H,1H3/b6-3+,16-12+.
What are the key properties of 5-methoxy-3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol?
5-methoxy-3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol has a molecular weight of 394.43 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol is sourced from PubChem (CID 135988950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).