3-[(Z)-[1-(4-fluorophenyl)pyrido[3,4-b]indol-3-ylidene]methyl]-1H-indol-2-ol

C26H16FN3O — CID 155806857

IUPAC3-[(Z)-[1-(4-fluorophenyl)pyrido[3,4-b]indol-3-ylidene]methyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/C=c1/cc2c(c(-c3ccc(F)cc3)n1)=Nc1ccccc1-2
InChIInChI=1S/C26H16FN3O/c27-16-11-9-15(10-12-16)24-25-20(18-5-1-3-7-22(18)29-25)13-17(28-24)14-21-19-6-2-4-8-23(19)30-26(21)31/h1-14,30-31H/b17-14-
InChIKeyISANIGPYQXFDRH-VKAVYKQESA-N
MW405.43 g/mol
LogP4.84
Rot. Bonds2

About 3-[(Z)-[1-(4-fluorophenyl)pyrido[3,4-b]indol-3-ylidene]methyl]-1H-indol-2-ol

3-[(Z)-[1-(4-fluorophenyl)pyrido[3,4-b]indol-3-ylidene]methyl]-1H-indol-2-ol (PubChem CID 155806857) has the molecular formula C26H16FN3O and a molecular weight of 405.43 g/mol. Its IUPAC name is 3-[(Z)-[1-(4-fluorophenyl)pyrido[3,4-b]indol-3-ylidene]methyl]-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(Z)-[1-(4-fluorophenyl)pyrido[3,4-b]indol-3-ylidene]methyl]-1H-indol-2-ol
PubChem CID155806857
Molecular FormulaC26H16FN3O
Molecular Weight405.43 g/mol
Exact Mass405.13
IUPAC Name3-[(Z)-[1-(4-fluorophenyl)pyrido[3,4-b]indol-3-ylidene]methyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/C=c1/cc2c(c(-c3ccc(F)cc3)n1)=Nc1ccccc1-2
InChIInChI=1S/C26H16FN3O/c27-16-11-9-15(10-12-16)24-25-20(18-5-1-3-7-22(18)29-25)13-17(28-24)14-21-19-6-2-4-8-23(19)30-26(21)31/h1-14,30-31H/b17-14-
InChIKeyISANIGPYQXFDRH-VKAVYKQESA-N
XLogP4.84
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-[1-(4-fluorophenyl)pyrido[3,4-b]indol-3-ylidene]methyl]-1H-indol-2-ol?
The IUPAC name of 3-[(Z)-[1-(4-fluorophenyl)pyrido[3,4-b]indol-3-ylidene]methyl]-1H-indol-2-ol (CID 155806857) is 3-[(Z)-[1-(4-fluorophenyl)pyrido[3,4-b]indol-3-ylidene]methyl]-1H-indol-2-ol.
What is the SMILES notation for 3-[(Z)-[1-(4-fluorophenyl)pyrido[3,4-b]indol-3-ylidene]methyl]-1H-indol-2-ol?
The canonical SMILES for 3-[(Z)-[1-(4-fluorophenyl)pyrido[3,4-b]indol-3-ylidene]methyl]-1H-indol-2-ol is Oc1[nH]c2ccccc2c1/C=c1/cc2c(c(-c3ccc(F)cc3)n1)=Nc1ccccc1-2.
What is the InChIKey of 3-[(Z)-[1-(4-fluorophenyl)pyrido[3,4-b]indol-3-ylidene]methyl]-1H-indol-2-ol?
The InChIKey is ISANIGPYQXFDRH-VKAVYKQESA-N. The full InChI is InChI=1S/C26H16FN3O/c27-16-11-9-15(10-12-16)24-25-20(18-5-1-3-7-22(18)29-25)13-17(28-24)14-21-19-6-2-4-8-23(19)30-26(21)31/h1-14,30-31H/b17-14-.
What are the key properties of 3-[(Z)-[1-(4-fluorophenyl)pyrido[3,4-b]indol-3-ylidene]methyl]-1H-indol-2-ol?
3-[(Z)-[1-(4-fluorophenyl)pyrido[3,4-b]indol-3-ylidene]methyl]-1H-indol-2-ol has a molecular weight of 405.43 g/mol, XLogP of 4.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-[1-(4-fluorophenyl)pyrido[3,4-b]indol-3-ylidene]methyl]-1H-indol-2-ol is sourced from PubChem (CID 155806857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).