2-[2-[3-[(4-ethyl-2-pyridinyl)oxy]phenyl]pyrido[2,3-b]indol-9-yl]phenol

C30H23N3O2 — CID 154589883

IUPAC2-[2-[3-[(4-ethyl-2-pyridinyl)oxy]phenyl]pyrido[2,3-b]indol-9-yl]phenol
SMILESCCc1ccnc(Oc2cccc(-c3ccc4c5ccccc5n(-c5ccccc5O)c4n3)c2)c1
InChIInChI=1S/C30H23N3O2/c1-2-20-16-17-31-29(18-20)35-22-9-7-8-21(19-22)25-15-14-24-23-10-3-4-11-26(23)33(30(24)32-25)27-12-5-6-13-28(27)34/h3-19,34H,2H2,1H3
InChIKeyCNEWZLSSQAGFIC-UHFFFAOYSA-N
MW457.53 g/mol
LogP7.30
Rot. Bonds5

About 2-[2-[3-[(4-ethyl-2-pyridinyl)oxy]phenyl]pyrido[2,3-b]indol-9-yl]phenol

2-[2-[3-[(4-ethyl-2-pyridinyl)oxy]phenyl]pyrido[2,3-b]indol-9-yl]phenol (PubChem CID 154589883) has the molecular formula C30H23N3O2 and a molecular weight of 457.53 g/mol. Its IUPAC name is 2-[2-[3-[(4-ethyl-2-pyridinyl)oxy]phenyl]pyrido[2,3-b]indol-9-yl]phenol.

Molecular Properties

Compound Name2-[2-[3-[(4-ethyl-2-pyridinyl)oxy]phenyl]pyrido[2,3-b]indol-9-yl]phenol
PubChem CID154589883
Molecular FormulaC30H23N3O2
Molecular Weight457.53 g/mol
Exact Mass457.18
IUPAC Name2-[2-[3-[(4-ethyl-2-pyridinyl)oxy]phenyl]pyrido[2,3-b]indol-9-yl]phenol
SMILESCCc1ccnc(Oc2cccc(-c3ccc4c5ccccc5n(-c5ccccc5O)c4n3)c2)c1
InChIInChI=1S/C30H23N3O2/c1-2-20-16-17-31-29(18-20)35-22-9-7-8-21(19-22)25-15-14-24-23-10-3-4-11-26(23)33(30(24)32-25)27-12-5-6-13-28(27)34/h3-19,34H,2H2,1H3
InChIKeyCNEWZLSSQAGFIC-UHFFFAOYSA-N
XLogP7.30
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.53
LogP ≤ 57.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-ethyl-5-pyridin-2-yloxyphenyl)pyrido[2,3-b]indol-9-yl]phenol
CID 154590063
2-[2-(3-phenyl-5-pyridin-2-yloxyphenyl)pyrido[2,3-b]indol-9-yl]phenol
CID 154589986
platinum;2-[2-[3-[(4-propan-2-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol
CID 154590090
2-[2-[3-(N-(4-phenyl-2-pyridinyl)anilino)phenyl]pyrido[2,3-b]indol-9-yl]phenol
CID 154589814
2-[2-[3-(N-(4-tert-butyl-2-pyridinyl)anilino)phenyl]pyrido[2,3-b]indol-9-yl]phenol
CID 154589840
9-(4-ethyl-2-pyridinyl)-2-[3-[(6-ethyl-2-pyridinyl)oxy]phenyl]carbazole
CID 153421163
2-[2-[3-[2-[4-(4-tert-butylphenyl)-2-pyridinyl]propan-2-yl]phenyl]pyrido[2,3-b]indol-9-yl]phenol
CID 154589990
2-[2-(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)pyrido[2,3-b]indol-9-yl]phenol;2-[2-(3-ethyl-5-pyridin-2-yloxybenzene-6-id-1-yl)pyrido[2,3-b]indol-9-yl]phenol;2-[2-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[2-(3-phenyl-5-pyridin-2-yloxybenzene-6-id-1-yl)pyrido[2,3-b]indol-9-yl]phenol;platinum;2-[2-(3-propan-2-yl-5-pyridin-2-yloxybenzene-6-id-1-yl)pyrido[2,3-b]indol-9-yl]phenol
CID 161274499
platinum;2-[2-(3-propan-2-yl-5-pyridin-2-yloxybenzene-6-id-1-yl)pyrido[2,3-b]indol-9-yl]phenol
CID 154590213
2-[9-(4-ethyl-2-pyridinyl)carbazol-2-yl]oxy-4-(trifluoromethyl)quinolin-8-ol
CID 176606652
2-[2-[6-(phenoxy)-4-phenyl-2-pyridinyl]pyrido[2,3-b]indol-9-yl]phenol;platinum
CID 154590125
2-[2-[3-tert-butyl-5-[dimethyl(pyridin-2-yl)silyl]phenyl]pyrido[2,3-b]indol-9-yl]phenol
CID 154590001

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[(4-ethyl-2-pyridinyl)oxy]phenyl]pyrido[2,3-b]indol-9-yl]phenol?
The IUPAC name of 2-[2-[3-[(4-ethyl-2-pyridinyl)oxy]phenyl]pyrido[2,3-b]indol-9-yl]phenol (CID 154589883) is 2-[2-[3-[(4-ethyl-2-pyridinyl)oxy]phenyl]pyrido[2,3-b]indol-9-yl]phenol.
What is the SMILES notation for 2-[2-[3-[(4-ethyl-2-pyridinyl)oxy]phenyl]pyrido[2,3-b]indol-9-yl]phenol?
The canonical SMILES for 2-[2-[3-[(4-ethyl-2-pyridinyl)oxy]phenyl]pyrido[2,3-b]indol-9-yl]phenol is CCc1ccnc(Oc2cccc(-c3ccc4c5ccccc5n(-c5ccccc5O)c4n3)c2)c1.
What is the InChIKey of 2-[2-[3-[(4-ethyl-2-pyridinyl)oxy]phenyl]pyrido[2,3-b]indol-9-yl]phenol?
The InChIKey is CNEWZLSSQAGFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N3O2/c1-2-20-16-17-31-29(18-20)35-22-9-7-8-21(19-22)25-15-14-24-23-10-3-4-11-26(23)33(30(24)32-25)27-12-5-6-13-28(27)34/h3-19,34H,2H2,1H3.
What are the key properties of 2-[2-[3-[(4-ethyl-2-pyridinyl)oxy]phenyl]pyrido[2,3-b]indol-9-yl]phenol?
2-[2-[3-[(4-ethyl-2-pyridinyl)oxy]phenyl]pyrido[2,3-b]indol-9-yl]phenol has a molecular weight of 457.53 g/mol, XLogP of 7.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[(4-ethyl-2-pyridinyl)oxy]phenyl]pyrido[2,3-b]indol-9-yl]phenol is sourced from PubChem (CID 154589883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).