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

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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).