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

C20H14N4O — CID 135988914

IUPAC3-[(E)-[3-(1H-pyrrol-2-yl)indazol-6-ylidene]methyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/C=c1\ccc2c(c1)N=NC=2c1ccc[nH]1
InChIInChI=1S/C20H14N4O/c25-20-15(13-4-1-2-5-16(13)22-20)10-12-7-8-14-18(11-12)23-24-19(14)17-6-3-9-21-17/h1-11,21-22,25H/b12-10+
InChIKeySYAWUSBPMAAWAG-ZRDIBKRKSA-N
MW326.36 g/mol
LogP3.28
Rot. Bonds2

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

3-[(E)-[3-(1H-pyrrol-2-yl)indazol-6-ylidene]methyl]-1H-indol-2-ol (PubChem CID 135988914) has the molecular formula C20H14N4O and a molecular weight of 326.36 g/mol. Its IUPAC name is 3-[(E)-[3-(1H-pyrrol-2-yl)indazol-6-ylidene]methyl]-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(E)-[3-(1H-pyrrol-2-yl)indazol-6-ylidene]methyl]-1H-indol-2-ol
PubChem CID135988914
Molecular FormulaC20H14N4O
Molecular Weight326.36 g/mol
Exact Mass326.12
IUPAC Name3-[(E)-[3-(1H-pyrrol-2-yl)indazol-6-ylidene]methyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/C=c1\ccc2c(c1)N=NC=2c1ccc[nH]1
InChIInChI=1S/C20H14N4O/c25-20-15(13-4-1-2-5-16(13)22-20)10-12-7-8-14-18(11-12)23-24-19(14)17-6-3-9-21-17/h1-11,21-22,25H/b12-10+
InChIKeySYAWUSBPMAAWAG-ZRDIBKRKSA-N
XLogP3.28
TPSA76.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-[3-(1H-pyrrol-2-yl)indazol-6-ylidene]methyl]-1H-indol-2-ol?
The IUPAC name of 3-[(E)-[3-(1H-pyrrol-2-yl)indazol-6-ylidene]methyl]-1H-indol-2-ol (CID 135988914) is 3-[(E)-[3-(1H-pyrrol-2-yl)indazol-6-ylidene]methyl]-1H-indol-2-ol.
What is the SMILES notation for 3-[(E)-[3-(1H-pyrrol-2-yl)indazol-6-ylidene]methyl]-1H-indol-2-ol?
The canonical SMILES for 3-[(E)-[3-(1H-pyrrol-2-yl)indazol-6-ylidene]methyl]-1H-indol-2-ol is Oc1[nH]c2ccccc2c1/C=c1\ccc2c(c1)N=NC=2c1ccc[nH]1.
What is the InChIKey of 3-[(E)-[3-(1H-pyrrol-2-yl)indazol-6-ylidene]methyl]-1H-indol-2-ol?
The InChIKey is SYAWUSBPMAAWAG-ZRDIBKRKSA-N. The full InChI is InChI=1S/C20H14N4O/c25-20-15(13-4-1-2-5-16(13)22-20)10-12-7-8-14-18(11-12)23-24-19(14)17-6-3-9-21-17/h1-11,21-22,25H/b12-10+.
What are the key properties of 3-[(E)-[3-(1H-pyrrol-2-yl)indazol-6-ylidene]methyl]-1H-indol-2-ol?
3-[(E)-[3-(1H-pyrrol-2-yl)indazol-6-ylidene]methyl]-1H-indol-2-ol has a molecular weight of 326.36 g/mol, XLogP of 3.28, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-[3-(1H-pyrrol-2-yl)indazol-6-ylidene]methyl]-1H-indol-2-ol is sourced from PubChem (CID 135988914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).