[3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-[3-(methoxymethyl)-1H-indol-2-yl]methanone

C25H27FN2O4 — CID 123465643

IUPAC[3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-[3-(methoxymethyl)-1H-indol-2-yl]methanone
SMILESCOCc1c(C(=O)C2CC(Oc3ncc(F)cc3C3CCOCC3)C2)[nH]c2ccccc12
InChIInChI=1S/C25H27FN2O4/c1-30-14-21-19-4-2-3-5-22(19)28-23(21)24(29)16-10-18(11-16)32-25-20(12-17(26)13-27-25)15-6-8-31-9-7-15/h2-5,12-13,15-16,18,28H,6-11,14H2,1H3
InChIKeyYCIWLQOAYOJAGG-UHFFFAOYSA-N
MW438.50 g/mol
LogP4.78
Rot. Bonds7

About [3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-[3-(methoxymethyl)-1H-indol-2-yl]methanone

[3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-[3-(methoxymethyl)-1H-indol-2-yl]methanone (PubChem CID 123465643) has the molecular formula C25H27FN2O4 and a molecular weight of 438.50 g/mol. Its IUPAC name is [3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-[3-(methoxymethyl)-1H-indol-2-yl]methanone.

Molecular Properties

Compound Name[3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-[3-(methoxymethyl)-1H-indol-2-yl]methanone
PubChem CID123465643
Molecular FormulaC25H27FN2O4
Molecular Weight438.50 g/mol
Exact Mass438.20
IUPAC Name[3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-[3-(methoxymethyl)-1H-indol-2-yl]methanone
SMILESCOCc1c(C(=O)C2CC(Oc3ncc(F)cc3C3CCOCC3)C2)[nH]c2ccccc12
InChIInChI=1S/C25H27FN2O4/c1-30-14-21-19-4-2-3-5-22(19)28-23(21)24(29)16-10-18(11-16)32-25-20(12-17(26)13-27-25)15-6-8-31-9-7-15/h2-5,12-13,15-16,18,28H,6-11,14H2,1H3
InChIKeyYCIWLQOAYOJAGG-UHFFFAOYSA-N
XLogP4.78
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-[3-(methoxymethyl)-1H-indol-2-yl]methanone 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

Abecarnil
CID 65914
Ethyl 4-(methoxymethyl)-6-(phenylmethoxy)-9H-pyrido(3,4-b)indole-3-carboxylate
CID 121926
Ethyl 4-methyl-5-(1-methylethoxy)-9H-pyrido(3,4-b)indole-3-carboxylate
CID 115210
ZK 91296
CID 123700
6-Propoxy-4-(methoxymethyl)-beta-carboline-3-carboxylic acid ethyl ester
CID 131889
ethyl 5-methoxy-3-[(E)-3-oxo-3-pyridin-4-ylprop-1-enyl]-1H-indole-2-carboxylate
CID 90306832
methyl 5-methoxy-3-[(E)-3-oxo-3-pyridin-4-ylprop-1-enyl]-1H-indole-2-carboxylate
CID 118118794
propyl 5-methoxy-3-[(E)-3-oxo-3-pyridin-4-ylprop-1-enyl]-1H-indole-2-carboxylate
CID 118118795
(E)-1-(2,6-dimethoxy-4-pyridinyl)-3-(6-fluoro-1H-indol-3-yl)-2-methylprop-2-en-1-one
CID 141748043
(E)-1-(2,6-dimethoxy-4-pyridinyl)-3-(5-fluoro-1H-indol-3-yl)-2-methylprop-2-en-1-one
CID 141748049
5-fluoro-3-[3-[4-[4-fluoro-2-(furan-3-yl)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 155552707
propan-2-yl 4-(methoxymethyl)-6-propoxy-9H-pyrido[3,4-b]indole-3-carboxylate
CID 10546176

Frequently Asked Questions

What is the IUPAC name of [3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-[3-(methoxymethyl)-1H-indol-2-yl]methanone?
The IUPAC name of [3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-[3-(methoxymethyl)-1H-indol-2-yl]methanone (CID 123465643) is [3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-[3-(methoxymethyl)-1H-indol-2-yl]methanone.
What is the SMILES notation for [3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-[3-(methoxymethyl)-1H-indol-2-yl]methanone?
The canonical SMILES for [3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-[3-(methoxymethyl)-1H-indol-2-yl]methanone is COCc1c(C(=O)C2CC(Oc3ncc(F)cc3C3CCOCC3)C2)[nH]c2ccccc12.
What is the InChIKey of [3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-[3-(methoxymethyl)-1H-indol-2-yl]methanone?
The InChIKey is YCIWLQOAYOJAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O4/c1-30-14-21-19-4-2-3-5-22(19)28-23(21)24(29)16-10-18(11-16)32-25-20(12-17(26)13-27-25)15-6-8-31-9-7-15/h2-5,12-13,15-16,18,28H,6-11,14H2,1H3.
What are the key properties of [3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-[3-(methoxymethyl)-1H-indol-2-yl]methanone?
[3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-[3-(methoxymethyl)-1H-indol-2-yl]methanone has a molecular weight of 438.50 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-[3-(methoxymethyl)-1H-indol-2-yl]methanone is sourced from PubChem (CID 123465643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).