1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(3-hydroxycyclobutyl)urea

C24H24F3N3O2 — CID 166008677

IUPAC1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(3-hydroxycyclobutyl)urea
SMILESO=C(NCC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1)NC1CC(O)C1
InChIInChI=1S/C24H24F3N3O2/c25-15-3-1-13(2-4-15)22-21(19-7-16(26)8-20(27)23(19)30-22)14-5-12(6-14)11-28-24(32)29-17-9-18(31)10-17/h1-4,7-8,12,14,17-18,30-31H,5-6,9-11H2,(H2,28,29,32)
InChIKeyDFSQJMKGNJTLFV-UHFFFAOYSA-N
MW443.47 g/mol
LogP4.57
Rot. Bonds5

About 1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(3-hydroxycyclobutyl)urea

1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(3-hydroxycyclobutyl)urea (PubChem CID 166008677) has the molecular formula C24H24F3N3O2 and a molecular weight of 443.47 g/mol. Its IUPAC name is 1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(3-hydroxycyclobutyl)urea.

Molecular Properties

Compound Name1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(3-hydroxycyclobutyl)urea
PubChem CID166008677
Molecular FormulaC24H24F3N3O2
Molecular Weight443.47 g/mol
Exact Mass443.18
IUPAC Name1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(3-hydroxycyclobutyl)urea
SMILESO=C(NCC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1)NC1CC(O)C1
InChIInChI=1S/C24H24F3N3O2/c25-15-3-1-13(2-4-15)22-21(19-7-16(26)8-20(27)23(19)30-22)14-5-12(6-14)11-28-24(32)29-17-9-18(31)10-17/h1-4,7-8,12,14,17-18,30-31H,5-6,9-11H2,(H2,28,29,32)
InChIKeyDFSQJMKGNJTLFV-UHFFFAOYSA-N
XLogP4.57
TPSA77.15 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.47
LogP ≤ 54.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(3-hydroxycyclobutyl)urea?
The IUPAC name of 1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(3-hydroxycyclobutyl)urea (CID 166008677) is 1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(3-hydroxycyclobutyl)urea.
What is the SMILES notation for 1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(3-hydroxycyclobutyl)urea?
The canonical SMILES for 1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(3-hydroxycyclobutyl)urea is O=C(NCC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1)NC1CC(O)C1.
What is the InChIKey of 1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(3-hydroxycyclobutyl)urea?
The InChIKey is DFSQJMKGNJTLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O2/c25-15-3-1-13(2-4-15)22-21(19-7-16(26)8-20(27)23(19)30-22)14-5-12(6-14)11-28-24(32)29-17-9-18(31)10-17/h1-4,7-8,12,14,17-18,30-31H,5-6,9-11H2,(H2,28,29,32).
What are the key properties of 1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(3-hydroxycyclobutyl)urea?
1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(3-hydroxycyclobutyl)urea has a molecular weight of 443.47 g/mol, XLogP of 4.57, 5 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(3-hydroxycyclobutyl)urea is sourced from PubChem (CID 166008677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).