4-[(5-fluoro-2-pyridinyl)methoxy]-1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)pyridin-2-one

C24H22FN3O2 — CID 58093435

IUPAC4-[(5-fluoro-2-pyridinyl)methoxy]-1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)pyridin-2-one
SMILESO=c1cc(OCc2ccc(F)cn2)ccn1-c1ccc2c3c([nH]c2c1)CCCCC3
InChIInChI=1S/C24H22FN3O2/c25-16-6-7-17(26-14-16)15-30-19-10-11-28(24(29)13-19)18-8-9-21-20-4-2-1-3-5-22(20)27-23(21)12-18/h6-14,27H,1-5,15H2
InChIKeyKNPWYJXEAVRVRW-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.70
Rot. Bonds4

About 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)pyridin-2-one

4-[(5-fluoro-2-pyridinyl)methoxy]-1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)pyridin-2-one (PubChem CID 58093435) has the molecular formula C24H22FN3O2 and a molecular weight of 403.46 g/mol. Its IUPAC name is 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)pyridin-2-one.

Molecular Properties

Compound Name4-[(5-fluoro-2-pyridinyl)methoxy]-1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)pyridin-2-one
PubChem CID58093435
Molecular FormulaC24H22FN3O2
Molecular Weight403.46 g/mol
Exact Mass403.17
IUPAC Name4-[(5-fluoro-2-pyridinyl)methoxy]-1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)pyridin-2-one
SMILESO=c1cc(OCc2ccc(F)cn2)ccn1-c1ccc2c3c([nH]c2c1)CCCCC3
InChIInChI=1S/C24H22FN3O2/c25-16-6-7-17(26-14-16)15-30-19-10-11-28(24(29)13-19)18-8-9-21-20-4-2-1-3-5-22(20)27-23(21)12-18/h6-14,27H,1-5,15H2
InChIKeyKNPWYJXEAVRVRW-UHFFFAOYSA-N
XLogP4.70
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)pyridin-2-one?
The IUPAC name of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)pyridin-2-one (CID 58093435) is 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)pyridin-2-one.
What is the SMILES notation for 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)pyridin-2-one?
The canonical SMILES for 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)pyridin-2-one is O=c1cc(OCc2ccc(F)cn2)ccn1-c1ccc2c3c([nH]c2c1)CCCCC3.
What is the InChIKey of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)pyridin-2-one?
The InChIKey is KNPWYJXEAVRVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2/c25-16-6-7-17(26-14-16)15-30-19-10-11-28(24(29)13-19)18-8-9-21-20-4-2-1-3-5-22(20)27-23(21)12-18/h6-14,27H,1-5,15H2.
What are the key properties of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)pyridin-2-one?
4-[(5-fluoro-2-pyridinyl)methoxy]-1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)pyridin-2-one has a molecular weight of 403.46 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)pyridin-2-one is sourced from PubChem (CID 58093435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).