1-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-3-[1-(2-hydroxyethyl)cyclopropyl]urea

C22H22F3N3O2 — CID 166585966

IUPAC1-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-3-[1-(2-hydroxyethyl)cyclopropyl]urea
SMILESO=C(NCCc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12)NC1(CCO)CC1
InChIInChI=1S/C22H22F3N3O2/c23-14-3-1-13(2-4-14)19-16(17-11-15(24)12-18(25)20(17)27-19)5-9-26-21(30)28-22(6-7-22)8-10-29/h1-4,11-12,27,29H,5-10H2,(H2,26,28,30)
InChIKeyCKFQBOKUGVXFSQ-UHFFFAOYSA-N
MW417.43 g/mol
LogP4.01
Rot. Bonds7

About 1-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-3-[1-(2-hydroxyethyl)cyclopropyl]urea

1-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-3-[1-(2-hydroxyethyl)cyclopropyl]urea (PubChem CID 166585966) has the molecular formula C22H22F3N3O2 and a molecular weight of 417.43 g/mol. Its IUPAC name is 1-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-3-[1-(2-hydroxyethyl)cyclopropyl]urea.

Molecular Properties

Compound Name1-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-3-[1-(2-hydroxyethyl)cyclopropyl]urea
PubChem CID166585966
Molecular FormulaC22H22F3N3O2
Molecular Weight417.43 g/mol
Exact Mass417.17
IUPAC Name1-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-3-[1-(2-hydroxyethyl)cyclopropyl]urea
SMILESO=C(NCCc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12)NC1(CCO)CC1
InChIInChI=1S/C22H22F3N3O2/c23-14-3-1-13(2-4-14)19-16(17-11-15(24)12-18(25)20(17)27-19)5-9-26-21(30)28-22(6-7-22)8-10-29/h1-4,11-12,27,29H,5-10H2,(H2,26,28,30)
InChIKeyCKFQBOKUGVXFSQ-UHFFFAOYSA-N
XLogP4.01
TPSA77.15 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 54.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze 1-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-3-[1-(2-hydroxyethyl)cyclopropyl]urea with MolForge

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Related Compounds

N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-2-hydroxyacetamide
CID 166585643
N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-1-fluorocyclobutane-1-carboxamide
CID 166585625
1-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 166586116
N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]cyclopropanecarboxamide
CID 166585688
1-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethylcarbamoyloxymethyl]cyclopropane-1-carboxylic acid
CID 166585668
1-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-3-[(2-methylfuran-3-yl)methyl]urea
CID 166585913
(2S)-N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-6-oxopiperidine-2-carboxamide
CID 166586079
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(3-methyloxolan-3-yl)propanamide
CID 166585788
N'-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-2-methylbutanediamide
CID 166586096
N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-2-methylfuran-3-carboxamide
CID 166586083
N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 166586073
4-[[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethylamino]-hydroxymethyl]piperidine-2,6-dione
CID 166885889

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-3-[1-(2-hydroxyethyl)cyclopropyl]urea?
The IUPAC name of 1-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-3-[1-(2-hydroxyethyl)cyclopropyl]urea (CID 166585966) is 1-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-3-[1-(2-hydroxyethyl)cyclopropyl]urea.
What is the SMILES notation for 1-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-3-[1-(2-hydroxyethyl)cyclopropyl]urea?
The canonical SMILES for 1-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-3-[1-(2-hydroxyethyl)cyclopropyl]urea is O=C(NCCc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12)NC1(CCO)CC1.
What is the InChIKey of 1-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-3-[1-(2-hydroxyethyl)cyclopropyl]urea?
The InChIKey is CKFQBOKUGVXFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O2/c23-14-3-1-13(2-4-14)19-16(17-11-15(24)12-18(25)20(17)27-19)5-9-26-21(30)28-22(6-7-22)8-10-29/h1-4,11-12,27,29H,5-10H2,(H2,26,28,30).
What are the key properties of 1-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-3-[1-(2-hydroxyethyl)cyclopropyl]urea?
1-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-3-[1-(2-hydroxyethyl)cyclopropyl]urea has a molecular weight of 417.43 g/mol, XLogP of 4.01, 7 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-3-[1-(2-hydroxyethyl)cyclopropyl]urea is sourced from PubChem (CID 166585966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).