1-[4-[3-amino-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-cyclobutylurea

C27H30N6O3 — CID 70859284

IUPAC1-[4-[3-amino-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-cyclobutylurea
SMILESCc1noc(COc2ccc3c(N)c(-c4ccc(NC(=O)NC5CCC5)cc4)n(C4CCC4)c3c2)n1
InChIInChI=1S/C27H30N6O3/c1-16-29-24(36-32-16)15-35-21-12-13-22-23(14-21)33(20-6-3-7-20)26(25(22)28)17-8-10-19(11-9-17)31-27(34)30-18-4-2-5-18/h8-14,18,20H,2-7,15,28H2,1H3,(H2,30,31,34)
InChIKeyRYGQYJLDKLFZSL-UHFFFAOYSA-N
MW486.58 g/mol
LogP5.56
Rot. Bonds7

About 1-[4-[3-amino-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-cyclobutylurea

1-[4-[3-amino-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-cyclobutylurea (PubChem CID 70859284) has the molecular formula C27H30N6O3 and a molecular weight of 486.58 g/mol. Its IUPAC name is 1-[4-[3-amino-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-cyclobutylurea.

Molecular Properties

Compound Name1-[4-[3-amino-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-cyclobutylurea
PubChem CID70859284
Molecular FormulaC27H30N6O3
Molecular Weight486.58 g/mol
Exact Mass486.24
IUPAC Name1-[4-[3-amino-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-cyclobutylurea
SMILESCc1noc(COc2ccc3c(N)c(-c4ccc(NC(=O)NC5CCC5)cc4)n(C4CCC4)c3c2)n1
InChIInChI=1S/C27H30N6O3/c1-16-29-24(36-32-16)15-35-21-12-13-22-23(14-21)33(20-6-3-7-20)26(25(22)28)17-8-10-19(11-9-17)31-27(34)30-18-4-2-5-18/h8-14,18,20H,2-7,15,28H2,1H3,(H2,30,31,34)
InChIKeyRYGQYJLDKLFZSL-UHFFFAOYSA-N
XLogP5.56
TPSA120.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.58
LogP ≤ 55.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[4-[3-amino-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-cyclobutylurea 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 1-[4-[3-amino-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-cyclobutylurea?
The IUPAC name of 1-[4-[3-amino-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-cyclobutylurea (CID 70859284) is 1-[4-[3-amino-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-cyclobutylurea.
What is the SMILES notation for 1-[4-[3-amino-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-cyclobutylurea?
The canonical SMILES for 1-[4-[3-amino-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-cyclobutylurea is Cc1noc(COc2ccc3c(N)c(-c4ccc(NC(=O)NC5CCC5)cc4)n(C4CCC4)c3c2)n1.
What is the InChIKey of 1-[4-[3-amino-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-cyclobutylurea?
The InChIKey is RYGQYJLDKLFZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O3/c1-16-29-24(36-32-16)15-35-21-12-13-22-23(14-21)33(20-6-3-7-20)26(25(22)28)17-8-10-19(11-9-17)31-27(34)30-18-4-2-5-18/h8-14,18,20H,2-7,15,28H2,1H3,(H2,30,31,34).
What are the key properties of 1-[4-[3-amino-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-cyclobutylurea?
1-[4-[3-amino-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-cyclobutylurea has a molecular weight of 486.58 g/mol, XLogP of 5.56, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-amino-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-cyclobutylurea is sourced from PubChem (CID 70859284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).