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

C21H14N4O — CID 135988932

IUPAC3-[(E)-(3-pyridin-4-ylindazol-6-ylidene)methyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/C=c1\ccc2c(c1)N=NC=2c1ccncc1
InChIInChI=1S/C21H14N4O/c26-21-17(15-3-1-2-4-18(15)23-21)11-13-5-6-16-19(12-13)24-25-20(16)14-7-9-22-10-8-14/h1-12,23,26H/b13-11+
InChIKeyMPSZLCMVKGEGHZ-ACCUITESSA-N
MW338.37 g/mol
LogP3.35
Rot. Bonds2

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

3-[(E)-(3-pyridin-4-ylindazol-6-ylidene)methyl]-1H-indol-2-ol (PubChem CID 135988932) has the molecular formula C21H14N4O and a molecular weight of 338.37 g/mol. Its IUPAC name is 3-[(E)-(3-pyridin-4-ylindazol-6-ylidene)methyl]-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(E)-(3-pyridin-4-ylindazol-6-ylidene)methyl]-1H-indol-2-ol
PubChem CID135988932
Molecular FormulaC21H14N4O
Molecular Weight338.37 g/mol
Exact Mass338.12
IUPAC Name3-[(E)-(3-pyridin-4-ylindazol-6-ylidene)methyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/C=c1\ccc2c(c1)N=NC=2c1ccncc1
InChIInChI=1S/C21H14N4O/c26-21-17(15-3-1-2-4-18(15)23-21)11-13-5-6-16-19(12-13)24-25-20(16)14-7-9-22-10-8-14/h1-12,23,26H/b13-11+
InChIKeyMPSZLCMVKGEGHZ-ACCUITESSA-N
XLogP3.35
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(3-pyridin-4-ylindazol-6-ylidene)methyl]-1H-indol-2-ol?
The IUPAC name of 3-[(E)-(3-pyridin-4-ylindazol-6-ylidene)methyl]-1H-indol-2-ol (CID 135988932) is 3-[(E)-(3-pyridin-4-ylindazol-6-ylidene)methyl]-1H-indol-2-ol.
What is the SMILES notation for 3-[(E)-(3-pyridin-4-ylindazol-6-ylidene)methyl]-1H-indol-2-ol?
The canonical SMILES for 3-[(E)-(3-pyridin-4-ylindazol-6-ylidene)methyl]-1H-indol-2-ol is Oc1[nH]c2ccccc2c1/C=c1\ccc2c(c1)N=NC=2c1ccncc1.
What is the InChIKey of 3-[(E)-(3-pyridin-4-ylindazol-6-ylidene)methyl]-1H-indol-2-ol?
The InChIKey is MPSZLCMVKGEGHZ-ACCUITESSA-N. The full InChI is InChI=1S/C21H14N4O/c26-21-17(15-3-1-2-4-18(15)23-21)11-13-5-6-16-19(12-13)24-25-20(16)14-7-9-22-10-8-14/h1-12,23,26H/b13-11+.
What are the key properties of 3-[(E)-(3-pyridin-4-ylindazol-6-ylidene)methyl]-1H-indol-2-ol?
3-[(E)-(3-pyridin-4-ylindazol-6-ylidene)methyl]-1H-indol-2-ol has a molecular weight of 338.37 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(3-pyridin-4-ylindazol-6-ylidene)methyl]-1H-indol-2-ol is sourced from PubChem (CID 135988932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).