1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea

C17H15ClN4O — CID 11313411

IUPAC1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea
SMILESO=C(Nc1cccc2[nH]ncc12)NC1CCc2cc(Cl)ccc21
InChIInChI=1S/C17H15ClN4O/c18-11-5-6-12-10(8-11)4-7-15(12)21-17(23)20-14-2-1-3-16-13(14)9-19-22-16/h1-3,5-6,8-9,15H,4,7H2,(H,19,22)(H2,20,21,23)
InChIKeySBVPKBZNKRFVGA-UHFFFAOYSA-N
MW326.79 g/mol
LogP4.03
Rot. Bonds2

About 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea

1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea (PubChem CID 11313411) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea
PubChem CID11313411
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC Name1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea
SMILESO=C(Nc1cccc2[nH]ncc12)NC1CCc2cc(Cl)ccc21
InChIInChI=1S/C17H15ClN4O/c18-11-5-6-12-10(8-11)4-7-15(12)21-17(23)20-14-2-1-3-16-13(14)9-19-22-16/h1-3,5-6,8-9,15H,4,7H2,(H,19,22)(H2,20,21,23)
InChIKeySBVPKBZNKRFVGA-UHFFFAOYSA-N
XLogP4.03
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-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

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea (CID 11313411) is 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea is O=C(Nc1cccc2[nH]ncc12)NC1CCc2cc(Cl)ccc21.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea?
The InChIKey is SBVPKBZNKRFVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O/c18-11-5-6-12-10(8-11)4-7-15(12)21-17(23)20-14-2-1-3-16-13(14)9-19-22-16/h1-3,5-6,8-9,15H,4,7H2,(H,19,22)(H2,20,21,23).
What are the key properties of 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea?
1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea has a molecular weight of 326.79 g/mol, XLogP of 4.03, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea is sourced from PubChem (CID 11313411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).