1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrimidin-2-yloxyphenyl)indole-3-carbonitrile

C28H26N4O3 — CID 59426242

IUPAC1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrimidin-2-yloxyphenyl)indole-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Oc3ncccn3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12
InChIInChI=1S/C28H26N4O3/c29-18-25-24-10-9-23(34-22-11-15-33-16-12-22)17-26(24)32(20-3-1-4-20)27(25)19-5-7-21(8-6-19)35-28-30-13-2-14-31-28/h2,5-10,13-14,17,20,22H,1,3-4,11-12,15-16H2
InChIKeyMJLMYQCLQSEOMQ-UHFFFAOYSA-N
MW466.54 g/mol
LogP6.05
Rot. Bonds6

About 1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrimidin-2-yloxyphenyl)indole-3-carbonitrile

1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrimidin-2-yloxyphenyl)indole-3-carbonitrile (PubChem CID 59426242) has the molecular formula C28H26N4O3 and a molecular weight of 466.54 g/mol. Its IUPAC name is 1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrimidin-2-yloxyphenyl)indole-3-carbonitrile.

Molecular Properties

Compound Name1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrimidin-2-yloxyphenyl)indole-3-carbonitrile
PubChem CID59426242
Molecular FormulaC28H26N4O3
Molecular Weight466.54 g/mol
Exact Mass466.20
IUPAC Name1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrimidin-2-yloxyphenyl)indole-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Oc3ncccn3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12
InChIInChI=1S/C28H26N4O3/c29-18-25-24-10-9-23(34-22-11-15-33-16-12-22)17-26(24)32(20-3-1-4-20)27(25)19-5-7-21(8-6-19)35-28-30-13-2-14-31-28/h2,5-10,13-14,17,20,22H,1,3-4,11-12,15-16H2
InChIKeyMJLMYQCLQSEOMQ-UHFFFAOYSA-N
XLogP6.05
TPSA82.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.54
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrimidin-2-yloxyphenyl)indole-3-carbonitrile 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

1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]indole-3-carbonitrile
CID 59425221
1-cyclobutyl-2-[4-(4-methoxyanilino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile
CID 59424960
[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] pyrrolidine-1-carboxylate
CID 59425430
1-cyclobutyl-2-[4-(methylsulfinamoylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile
CID 143509305
1-cyclobutyl-2-[4-(4-methoxy-3-methylanilino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile
CID 59426150
2,4-dimethylpentan-3-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
CID 59425190
N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-1-cyclobutylmethanesulfonamide
CID 59430651
[(2S)-butan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
CID 59606515
1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
CID 59425516
[(1R)-1-(4-fluorophenyl)ethyl] N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
CID 59425038
1-cyclobutyl-6-(2-methoxyethoxy)-2-phenylindole-3-carbonitrile
CID 91127779
1-cyclobutyl-2-[4-(methylamino)phenyl]-6-(2-pyrimidin-2-ylsulfanylethoxy)indole-3-carbonitrile
CID 143509280

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrimidin-2-yloxyphenyl)indole-3-carbonitrile?
The IUPAC name of 1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrimidin-2-yloxyphenyl)indole-3-carbonitrile (CID 59426242) is 1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrimidin-2-yloxyphenyl)indole-3-carbonitrile.
What is the SMILES notation for 1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrimidin-2-yloxyphenyl)indole-3-carbonitrile?
The canonical SMILES for 1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrimidin-2-yloxyphenyl)indole-3-carbonitrile is N#Cc1c(-c2ccc(Oc3ncccn3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.
What is the InChIKey of 1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrimidin-2-yloxyphenyl)indole-3-carbonitrile?
The InChIKey is MJLMYQCLQSEOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3/c29-18-25-24-10-9-23(34-22-11-15-33-16-12-22)17-26(24)32(20-3-1-4-20)27(25)19-5-7-21(8-6-19)35-28-30-13-2-14-31-28/h2,5-10,13-14,17,20,22H,1,3-4,11-12,15-16H2.
What are the key properties of 1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrimidin-2-yloxyphenyl)indole-3-carbonitrile?
1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrimidin-2-yloxyphenyl)indole-3-carbonitrile has a molecular weight of 466.54 g/mol, XLogP of 6.05, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrimidin-2-yloxyphenyl)indole-3-carbonitrile is sourced from PubChem (CID 59426242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).