1-(4-chloro-1H-indol-6-yl)-3-[6-(3,3-difluorocyclobutyl)-5-fluoro-3-pyridinyl]urea

C18H14ClF3N4O — CID 155411968

IUPAC1-(4-chloro-1H-indol-6-yl)-3-[6-(3,3-difluorocyclobutyl)-5-fluoro-3-pyridinyl]urea
SMILESO=C(Nc1cnc(C2CC(F)(F)C2)c(F)c1)Nc1cc(Cl)c2cc[nH]c2c1
InChIInChI=1S/C18H14ClF3N4O/c19-13-3-10(5-15-12(13)1-2-23-15)25-17(27)26-11-4-14(20)16(24-8-11)9-6-18(21,22)7-9/h1-5,8-9,23H,6-7H2,(H2,25,26,27)
InChIKeyMAEIIZOVWVXIKW-UHFFFAOYSA-N
MW394.78 g/mol
LogP5.51
Rot. Bonds3

About 1-(4-chloro-1H-indol-6-yl)-3-[6-(3,3-difluorocyclobutyl)-5-fluoro-3-pyridinyl]urea

1-(4-chloro-1H-indol-6-yl)-3-[6-(3,3-difluorocyclobutyl)-5-fluoro-3-pyridinyl]urea (PubChem CID 155411968) has the molecular formula C18H14ClF3N4O and a molecular weight of 394.78 g/mol. Its IUPAC name is 1-(4-chloro-1H-indol-6-yl)-3-[6-(3,3-difluorocyclobutyl)-5-fluoro-3-pyridinyl]urea.

Molecular Properties

Compound Name1-(4-chloro-1H-indol-6-yl)-3-[6-(3,3-difluorocyclobutyl)-5-fluoro-3-pyridinyl]urea
PubChem CID155411968
Molecular FormulaC18H14ClF3N4O
Molecular Weight394.78 g/mol
Exact Mass394.08
IUPAC Name1-(4-chloro-1H-indol-6-yl)-3-[6-(3,3-difluorocyclobutyl)-5-fluoro-3-pyridinyl]urea
SMILESO=C(Nc1cnc(C2CC(F)(F)C2)c(F)c1)Nc1cc(Cl)c2cc[nH]c2c1
InChIInChI=1S/C18H14ClF3N4O/c19-13-3-10(5-15-12(13)1-2-23-15)25-17(27)26-11-4-14(20)16(24-8-11)9-6-18(21,22)7-9/h1-5,8-9,23H,6-7H2,(H2,25,26,27)
InChIKeyMAEIIZOVWVXIKW-UHFFFAOYSA-N
XLogP5.51
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.78
LogP ≤ 55.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(4-chloro-1H-indol-6-yl)-3-[6-(3,3-difluorocyclobutyl)-5-fluoro-3-pyridinyl]urea 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-{[4-chloro-3-(trifluoromethyl)phenyl]methyl}-3-1H-indol-4-ylurea
CID 10361638
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1H-indol-7-yl)urea
CID 10237015
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1H-indol-4-yl)urea
CID 10237016
1-[(4-chlorophenyl)methyl]-3-1H-indol-4-ylurea
CID 24768220
N-(3-chloro-4-fluorophenyl)-4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 16022473
N-(4-chlorophenyl)-4-(1H-indol-4-yl)piperazine-1-carboxamide
CID 2802665
4-chloro-N-(4-pyridin-2-ylpyrimidin-2-yl)-1H-indol-6-amine
CID 71233780
1-(3-chloro-4-fluorophenyl)-3-(1H-indol-3-yl)urea
CID 7616069
N-(3-Chloro-4-methylphenyl)-4-(1H-indol-3-YL)-1,2,3,6-tetrahydropyridine-1-carboxamide
CID 16034688
1-(3-chlorophenyl)-3-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]urea
CID 44533300
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]urea
CID 155534650
1-(3-chloro-4-methylphenyl)-3-(1H-indol-3-yl)urea
CID 7616083

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1H-indol-6-yl)-3-[6-(3,3-difluorocyclobutyl)-5-fluoro-3-pyridinyl]urea?
The IUPAC name of 1-(4-chloro-1H-indol-6-yl)-3-[6-(3,3-difluorocyclobutyl)-5-fluoro-3-pyridinyl]urea (CID 155411968) is 1-(4-chloro-1H-indol-6-yl)-3-[6-(3,3-difluorocyclobutyl)-5-fluoro-3-pyridinyl]urea.
What is the SMILES notation for 1-(4-chloro-1H-indol-6-yl)-3-[6-(3,3-difluorocyclobutyl)-5-fluoro-3-pyridinyl]urea?
The canonical SMILES for 1-(4-chloro-1H-indol-6-yl)-3-[6-(3,3-difluorocyclobutyl)-5-fluoro-3-pyridinyl]urea is O=C(Nc1cnc(C2CC(F)(F)C2)c(F)c1)Nc1cc(Cl)c2cc[nH]c2c1.
What is the InChIKey of 1-(4-chloro-1H-indol-6-yl)-3-[6-(3,3-difluorocyclobutyl)-5-fluoro-3-pyridinyl]urea?
The InChIKey is MAEIIZOVWVXIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N4O/c19-13-3-10(5-15-12(13)1-2-23-15)25-17(27)26-11-4-14(20)16(24-8-11)9-6-18(21,22)7-9/h1-5,8-9,23H,6-7H2,(H2,25,26,27).
What are the key properties of 1-(4-chloro-1H-indol-6-yl)-3-[6-(3,3-difluorocyclobutyl)-5-fluoro-3-pyridinyl]urea?
1-(4-chloro-1H-indol-6-yl)-3-[6-(3,3-difluorocyclobutyl)-5-fluoro-3-pyridinyl]urea has a molecular weight of 394.78 g/mol, XLogP of 5.51, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1H-indol-6-yl)-3-[6-(3,3-difluorocyclobutyl)-5-fluoro-3-pyridinyl]urea is sourced from PubChem (CID 155411968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).