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

C17H15ClN4O — CID 69429010

IUPAC1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-(1H-indazol-4-yl)urea
SMILESNC(=O)N(c1cccc2[nH]ncc12)C1CCc2cc(Cl)ccc21
InChIInChI=1S/C17H15ClN4O/c18-11-5-6-12-10(8-11)4-7-16(12)22(17(19)23)15-3-1-2-14-13(15)9-20-21-14/h1-3,5-6,8-9,16H,4,7H2,(H2,19,23)(H,20,21)
InChIKeyCIFNYBOVPKRQFB-UHFFFAOYSA-N
MW326.79 g/mol
LogP3.79
Rot. Bonds2

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

1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-(1H-indazol-4-yl)urea (PubChem CID 69429010) 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)-1-(1H-indazol-4-yl)urea.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-(1H-indazol-4-yl)urea
PubChem CID69429010
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC Name1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-(1H-indazol-4-yl)urea
SMILESNC(=O)N(c1cccc2[nH]ncc12)C1CCc2cc(Cl)ccc21
InChIInChI=1S/C17H15ClN4O/c18-11-5-6-12-10(8-11)4-7-16(12)22(17(19)23)15-3-1-2-14-13(15)9-20-21-14/h1-3,5-6,8-9,16H,4,7H2,(H2,19,23)(H,20,21)
InChIKeyCIFNYBOVPKRQFB-UHFFFAOYSA-N
XLogP3.79
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-(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)-1-(1H-indazol-4-yl)urea?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-(1H-indazol-4-yl)urea (CID 69429010) is 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-(1H-indazol-4-yl)urea.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-(1H-indazol-4-yl)urea?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-(1H-indazol-4-yl)urea is NC(=O)N(c1cccc2[nH]ncc12)C1CCc2cc(Cl)ccc21.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-(1H-indazol-4-yl)urea?
The InChIKey is CIFNYBOVPKRQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O/c18-11-5-6-12-10(8-11)4-7-16(12)22(17(19)23)15-3-1-2-14-13(15)9-20-21-14/h1-3,5-6,8-9,16H,4,7H2,(H2,19,23)(H,20,21).
What are the key properties of 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-(1H-indazol-4-yl)urea?
1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-(1H-indazol-4-yl)urea has a molecular weight of 326.79 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 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)-1-(1H-indazol-4-yl)urea is sourced from PubChem (CID 69429010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).