4-[(5-fluoro-2-pyridinyl)methoxy]-1-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one

C23H21FN4O2 — CID 143833679

IUPAC4-[(5-fluoro-2-pyridinyl)methoxy]-1-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one
SMILESCN1CCc2[nH]c3cc(-n4ccc(OCc5ccc(F)cn5)cc4=O)ccc3c2C1
InChIInChI=1S/C23H21FN4O2/c1-27-8-7-21-20(13-27)19-5-4-17(10-22(19)26-21)28-9-6-18(11-23(28)29)30-14-16-3-2-15(24)12-25-16/h2-6,9-12,26H,7-8,13-14H2,1H3
InChIKeyLKLTVCLYZLGWTC-UHFFFAOYSA-N
MW404.45 g/mol
LogP3.42
Rot. Bonds4

About 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one

4-[(5-fluoro-2-pyridinyl)methoxy]-1-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one (PubChem CID 143833679) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one.

Molecular Properties

Compound Name4-[(5-fluoro-2-pyridinyl)methoxy]-1-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one
PubChem CID143833679
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC Name4-[(5-fluoro-2-pyridinyl)methoxy]-1-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one
SMILESCN1CCc2[nH]c3cc(-n4ccc(OCc5ccc(F)cn5)cc4=O)ccc3c2C1
InChIInChI=1S/C23H21FN4O2/c1-27-8-7-21-20(13-27)19-5-4-17(10-22(19)26-21)28-9-6-18(11-23(28)29)30-14-16-3-2-15(24)12-25-16/h2-6,9-12,26H,7-8,13-14H2,1H3
InChIKeyLKLTVCLYZLGWTC-UHFFFAOYSA-N
XLogP3.42
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-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

Related Compounds

4-[(5-Fluoro-2-pyridinyl)methoxy]-1-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one
CID 50903067
1-(2-Acetyl-5-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-4-(benzyloxy)pyridin-2(1H)-one
CID 44194482
4-(benzyloxy)-1-(2-(2-hydroxyethyl)-5-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2(1H)-one
CID 44194749
4-(benzyloxy)-1-(2,5-dimethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2(1H)-one
CID 44194849
1-(5-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-4-(4-(trifluoromethyl)benzyloxy)pyridin-2(1H)-one
CID 44194853
1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one
CID 46869326
4-(Benzyloxy)-1-(9-methyl-2,3,4,9-tetrahydro-1h-pyrido[3,4-b]indol-7-yl)pyridin-2(1h)-one
CID 50908737
4-(benzyloxy)-1-(2,9-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-7-yl)pyridin-2(1H)-one
CID 52941699
4-(benzyloxy)-1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2(1H)-one
CID 52942456
ALB-127158(a)
CID 44193892
4-(2-(4-fluorophenyl)-3-(pyridin-4-yl)-1H-indol-6-yl)morpholine
CID 44565095
1-[3-[1-(2-methoxyethyl)azetidin-3-yl]-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one
CID 56660001

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one?
The IUPAC name of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one (CID 143833679) is 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one.
What is the SMILES notation for 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one?
The canonical SMILES for 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one is CN1CCc2[nH]c3cc(-n4ccc(OCc5ccc(F)cn5)cc4=O)ccc3c2C1.
What is the InChIKey of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one?
The InChIKey is LKLTVCLYZLGWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c1-27-8-7-21-20(13-27)19-5-4-17(10-22(19)26-21)28-9-6-18(11-23(28)29)30-14-16-3-2-15(24)12-25-16/h2-6,9-12,26H,7-8,13-14H2,1H3.
What are the key properties of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one?
4-[(5-fluoro-2-pyridinyl)methoxy]-1-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one has a molecular weight of 404.45 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one is sourced from PubChem (CID 143833679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).