1-(2-fluoro-5-pyrrol-1-ylphenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea

C18H18FN5O — CID 71909222

IUPAC1-(2-fluoro-5-pyrrol-1-ylphenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
SMILESO=C(Nc1cc(-n2cccc2)ccc1F)NC1CCc2[nH]ncc2C1
InChIInChI=1S/C18H18FN5O/c19-15-5-4-14(24-7-1-2-8-24)10-17(15)22-18(25)21-13-3-6-16-12(9-13)11-20-23-16/h1-2,4-5,7-8,10-11,13H,3,6,9H2,(H,20,23)(H2,21,22,25)
InChIKeyKNRHZOADFUZLCE-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.02
Rot. Bonds3

About 1-(2-fluoro-5-pyrrol-1-ylphenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea

1-(2-fluoro-5-pyrrol-1-ylphenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea (PubChem CID 71909222) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is 1-(2-fluoro-5-pyrrol-1-ylphenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea.

Molecular Properties

Compound Name1-(2-fluoro-5-pyrrol-1-ylphenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
PubChem CID71909222
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name1-(2-fluoro-5-pyrrol-1-ylphenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
SMILESO=C(Nc1cc(-n2cccc2)ccc1F)NC1CCc2[nH]ncc2C1
InChIInChI=1S/C18H18FN5O/c19-15-5-4-14(24-7-1-2-8-24)10-17(15)22-18(25)21-13-3-6-16-12(9-13)11-20-23-16/h1-2,4-5,7-8,10-11,13H,3,6,9H2,(H,20,23)(H2,21,22,25)
InChIKeyKNRHZOADFUZLCE-UHFFFAOYSA-N
XLogP3.02
TPSA74.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(2-fluoro-5-pyrrol-1-ylphenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)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-(2-methyl-4-nitrophenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
CID 86804058
1-(1,5-dimethylpyrazol-3-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 97327595
1-(2-methoxy-5-methyl-3-pyridinyl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 97327551
1-(5-phenyl-1,2-oxazol-3-yl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 97327533
3-(2-fluorophenyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-1H-pyrazole-5-carboxamide
CID 97149757
3,4-difluoro-N-[2-oxo-2-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)ethyl]benzamide
CID 126792931
1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
CID 146106347
1-[2-(2-methylphenyl)pyrazol-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
CID 75515741
1-(6-tert-butylpyridazin-3-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 97327583
1-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
CID 126793528
4-(2,4-dioxoimidazolidin-1-yl)-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]benzamide
CID 97137408
1-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 124595043

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-pyrrol-1-ylphenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea?
The IUPAC name of 1-(2-fluoro-5-pyrrol-1-ylphenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea (CID 71909222) is 1-(2-fluoro-5-pyrrol-1-ylphenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea.
What is the SMILES notation for 1-(2-fluoro-5-pyrrol-1-ylphenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea?
The canonical SMILES for 1-(2-fluoro-5-pyrrol-1-ylphenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea is O=C(Nc1cc(-n2cccc2)ccc1F)NC1CCc2[nH]ncc2C1.
What is the InChIKey of 1-(2-fluoro-5-pyrrol-1-ylphenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea?
The InChIKey is KNRHZOADFUZLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c19-15-5-4-14(24-7-1-2-8-24)10-17(15)22-18(25)21-13-3-6-16-12(9-13)11-20-23-16/h1-2,4-5,7-8,10-11,13H,3,6,9H2,(H,20,23)(H2,21,22,25).
What are the key properties of 1-(2-fluoro-5-pyrrol-1-ylphenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea?
1-(2-fluoro-5-pyrrol-1-ylphenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea has a molecular weight of 339.37 g/mol, XLogP of 3.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-pyrrol-1-ylphenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea is sourced from PubChem (CID 71909222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).