1-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]-3-(1-methylindazol-4-yl)urea

C20H23N5O — CID 16749467

IUPAC1-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]-3-(1-methylindazol-4-yl)urea
SMILESCCN1CCc2cc(CNC(=O)Nc3cccc4c3cnn4C)ccc21
InChIInChI=1S/C20H23N5O/c1-3-25-10-9-15-11-14(7-8-18(15)25)12-21-20(26)23-17-5-4-6-19-16(17)13-22-24(19)2/h4-8,11,13H,3,9-10,12H2,1-2H3,(H2,21,23,26)
InChIKeyGOZSIGIHYMBLDA-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.28
Rot. Bonds4

About 1-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]-3-(1-methylindazol-4-yl)urea

1-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]-3-(1-methylindazol-4-yl)urea (PubChem CID 16749467) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]-3-(1-methylindazol-4-yl)urea.

Molecular Properties

Compound Name1-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]-3-(1-methylindazol-4-yl)urea
PubChem CID16749467
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name1-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]-3-(1-methylindazol-4-yl)urea
SMILESCCN1CCc2cc(CNC(=O)Nc3cccc4c3cnn4C)ccc21
InChIInChI=1S/C20H23N5O/c1-3-25-10-9-15-11-14(7-8-18(15)25)12-21-20(26)23-17-5-4-6-19-16(17)13-22-24(19)2/h4-8,11,13H,3,9-10,12H2,1-2H3,(H2,21,23,26)
InChIKeyGOZSIGIHYMBLDA-UHFFFAOYSA-N
XLogP3.28
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Abt 102
CID 11256560
Ko-947
CID 136653617
Abt-116
CID 46890602
1-[(1R,3R)-3-(2-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 60202428
1-[(1S,3S)-3-(2-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 66549082
1-[(1S,3S)-3-(3-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 66549271
1-[(1S,3R)-3-(3-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 66549275
1-(1H-indazol-4-yl)-3-[(1S,3S)-3-phenylcyclopentyl]urea
CID 66551085
1-(1H-indazol-4-yl)-3-[(1S,3R)-3-phenylcyclopentyl]urea
CID 66551282
1-{[4-(azepan-1-yl)-3-fluorophenyl]methyl}-3-1H-indazol-4-ylurea
CID 11338019
1-{[4-(azepan-1-yl)-3-(trifluoromethyl)phenyl]methyl}-3-1H-indazol-4-ylurea
CID 16749350
1-{[4-(azepan-1-yl)-3,5-difluorophenyl]methyl}-3-1H-indazol-4-ylurea
CID 16749351

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]-3-(1-methylindazol-4-yl)urea?
The IUPAC name of 1-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]-3-(1-methylindazol-4-yl)urea (CID 16749467) is 1-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]-3-(1-methylindazol-4-yl)urea.
What is the SMILES notation for 1-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]-3-(1-methylindazol-4-yl)urea?
The canonical SMILES for 1-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]-3-(1-methylindazol-4-yl)urea is CCN1CCc2cc(CNC(=O)Nc3cccc4c3cnn4C)ccc21.
What is the InChIKey of 1-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]-3-(1-methylindazol-4-yl)urea?
The InChIKey is GOZSIGIHYMBLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-3-25-10-9-15-11-14(7-8-18(15)25)12-21-20(26)23-17-5-4-6-19-16(17)13-22-24(19)2/h4-8,11,13H,3,9-10,12H2,1-2H3,(H2,21,23,26).
What are the key properties of 1-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]-3-(1-methylindazol-4-yl)urea?
1-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]-3-(1-methylindazol-4-yl)urea has a molecular weight of 349.44 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]-3-(1-methylindazol-4-yl)urea is sourced from PubChem (CID 16749467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).