1-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3-(1-methylindol-6-yl)urea

C20H21FN4O — CID 166229289

IUPAC1-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3-(1-methylindol-6-yl)urea
SMILESCn1ccc2ccc(NC(=O)NC3CCN(c4ccccc4F)C3)cc21
InChIInChI=1S/C20H21FN4O/c1-24-10-8-14-6-7-15(12-19(14)24)22-20(26)23-16-9-11-25(13-16)18-5-3-2-4-17(18)21/h2-8,10,12,16H,9,11,13H2,1H3,(H2,22,23,26)
InChIKeyKGLNGZHOSFNWCR-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.72
Rot. Bonds3

About 1-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3-(1-methylindol-6-yl)urea

1-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3-(1-methylindol-6-yl)urea (PubChem CID 166229289) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3-(1-methylindol-6-yl)urea.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3-(1-methylindol-6-yl)urea
PubChem CID166229289
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name1-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3-(1-methylindol-6-yl)urea
SMILESCn1ccc2ccc(NC(=O)NC3CCN(c4ccccc4F)C3)cc21
InChIInChI=1S/C20H21FN4O/c1-24-10-8-14-6-7-15(12-19(14)24)22-20(26)23-16-9-11-25(13-16)18-5-3-2-4-17(18)21/h2-8,10,12,16H,9,11,13H2,1H3,(H2,22,23,26)
InChIKeyKGLNGZHOSFNWCR-UHFFFAOYSA-N
XLogP3.72
TPSA49.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3-(1-methylindol-6-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-(difluoromethyl)-3H-benzimidazol-5-yl]-3-[1-(2-fluorophenyl)pyrrolidin-3-yl]urea
CID 166236117
1-(1,5-dimethylpyrazol-3-yl)-3-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]urea
CID 97329029
1-(2-fluorophenyl)-3-[(3R)-1-phenylpyrrolidin-3-yl]urea
CID 95283122
1-(1-methylpiperidin-4-yl)-3-naphthalen-2-ylurea
CID 78832160
1-cyclopropyl-3-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]urea
CID 47042942
1-[1-(3-chloroisoquinolin-1-yl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 154878520
N-methyl-3-[(1-phenylpyrrolidin-3-yl)carbamoylamino]benzamide
CID 56782101
(3aS,6aR)-N-[1-(2-fluorophenyl)pyrrolidin-3-yl]-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 128683584
1-(4-chlorophenyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 90621421
N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-N'-phenyloxamide
CID 95614867
N-(3,4-dimethylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152605
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-(1-methylindol-6-yl)oxamide
CID 111798539

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3-(1-methylindol-6-yl)urea?
The IUPAC name of 1-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3-(1-methylindol-6-yl)urea (CID 166229289) is 1-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3-(1-methylindol-6-yl)urea.
What is the SMILES notation for 1-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3-(1-methylindol-6-yl)urea?
The canonical SMILES for 1-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3-(1-methylindol-6-yl)urea is Cn1ccc2ccc(NC(=O)NC3CCN(c4ccccc4F)C3)cc21.
What is the InChIKey of 1-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3-(1-methylindol-6-yl)urea?
The InChIKey is KGLNGZHOSFNWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-24-10-8-14-6-7-15(12-19(14)24)22-20(26)23-16-9-11-25(13-16)18-5-3-2-4-17(18)21/h2-8,10,12,16H,9,11,13H2,1H3,(H2,22,23,26).
What are the key properties of 1-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3-(1-methylindol-6-yl)urea?
1-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3-(1-methylindol-6-yl)urea has a molecular weight of 352.41 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3-(1-methylindol-6-yl)urea is sourced from PubChem (CID 166229289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).