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

C19H21N5O — CID 16749466

IUPAC1-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]-3-(1H-indazol-4-yl)urea
SMILESCCN1CCc2cc(CNC(=O)Nc3cccc4[nH]ncc34)ccc21
InChIInChI=1S/C19H21N5O/c1-2-24-9-8-14-10-13(6-7-18(14)24)11-20-19(25)22-16-4-3-5-17-15(16)12-21-23-17/h3-7,10,12H,2,8-9,11H2,1H3,(H,21,23)(H2,20,22,25)
InChIKeyCLIRFEGEDUGTMQ-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.27
Rot. Bonds4

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

1-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]-3-(1H-indazol-4-yl)urea (PubChem CID 16749466) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]-3-(1H-indazol-4-yl)urea.

Molecular Properties

Compound Name1-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]-3-(1H-indazol-4-yl)urea
PubChem CID16749466
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name1-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]-3-(1H-indazol-4-yl)urea
SMILESCCN1CCc2cc(CNC(=O)Nc3cccc4[nH]ncc34)ccc21
InChIInChI=1S/C19H21N5O/c1-2-24-9-8-14-10-13(6-7-18(14)24)11-20-19(25)22-16-4-3-5-17-15(16)12-21-23-17/h3-7,10,12H,2,8-9,11H2,1H3,(H,21,23)(H2,20,22,25)
InChIKeyCLIRFEGEDUGTMQ-UHFFFAOYSA-N
XLogP3.27
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]-3-(1H-indazol-4-yl)urea?
The IUPAC name of 1-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]-3-(1H-indazol-4-yl)urea (CID 16749466) is 1-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]-3-(1H-indazol-4-yl)urea.
What is the SMILES notation for 1-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]-3-(1H-indazol-4-yl)urea?
The canonical SMILES for 1-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]-3-(1H-indazol-4-yl)urea is CCN1CCc2cc(CNC(=O)Nc3cccc4[nH]ncc34)ccc21.
What is the InChIKey of 1-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]-3-(1H-indazol-4-yl)urea?
The InChIKey is CLIRFEGEDUGTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-2-24-9-8-14-10-13(6-7-18(14)24)11-20-19(25)22-16-4-3-5-17-15(16)12-21-23-17/h3-7,10,12H,2,8-9,11H2,1H3,(H,21,23)(H2,20,22,25).
What are the key properties of 1-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]-3-(1H-indazol-4-yl)urea?
1-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]-3-(1H-indazol-4-yl)urea has a molecular weight of 335.41 g/mol, XLogP of 3.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]-3-(1H-indazol-4-yl)urea is sourced from PubChem (CID 16749466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).