1-(1H-indazol-4-yl)-3-(7-methyl-2,3-dihydro-1H-inden-1-yl)urea

C18H18N4O — CID 11278186

IUPAC1-(1H-indazol-4-yl)-3-(7-methyl-2,3-dihydro-1H-inden-1-yl)urea
SMILESCc1cccc2c1C(NC(=O)Nc1cccc3[nH]ncc13)CC2
InChIInChI=1S/C18H18N4O/c1-11-4-2-5-12-8-9-16(17(11)12)21-18(23)20-14-6-3-7-15-13(14)10-19-22-15/h2-7,10,16H,8-9H2,1H3,(H,19,22)(H2,20,21,23)
InChIKeyQDWZACMXOZMDBC-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.68
Rot. Bonds2

About 1-(1H-indazol-4-yl)-3-(7-methyl-2,3-dihydro-1H-inden-1-yl)urea

1-(1H-indazol-4-yl)-3-(7-methyl-2,3-dihydro-1H-inden-1-yl)urea (PubChem CID 11278186) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-(1H-indazol-4-yl)-3-(7-methyl-2,3-dihydro-1H-inden-1-yl)urea.

Molecular Properties

Compound Name1-(1H-indazol-4-yl)-3-(7-methyl-2,3-dihydro-1H-inden-1-yl)urea
PubChem CID11278186
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name1-(1H-indazol-4-yl)-3-(7-methyl-2,3-dihydro-1H-inden-1-yl)urea
SMILESCc1cccc2c1C(NC(=O)Nc1cccc3[nH]ncc13)CC2
InChIInChI=1S/C18H18N4O/c1-11-4-2-5-12-8-9-16(17(11)12)21-18(23)20-14-6-3-7-15-13(14)10-19-22-15/h2-7,10,16H,8-9H2,1H3,(H,19,22)(H2,20,21,23)
InChIKeyQDWZACMXOZMDBC-UHFFFAOYSA-N
XLogP3.68
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-4-yl)-3-(7-methyl-2,3-dihydro-1H-inden-1-yl)urea?
The IUPAC name of 1-(1H-indazol-4-yl)-3-(7-methyl-2,3-dihydro-1H-inden-1-yl)urea (CID 11278186) is 1-(1H-indazol-4-yl)-3-(7-methyl-2,3-dihydro-1H-inden-1-yl)urea.
What is the SMILES notation for 1-(1H-indazol-4-yl)-3-(7-methyl-2,3-dihydro-1H-inden-1-yl)urea?
The canonical SMILES for 1-(1H-indazol-4-yl)-3-(7-methyl-2,3-dihydro-1H-inden-1-yl)urea is Cc1cccc2c1C(NC(=O)Nc1cccc3[nH]ncc13)CC2.
What is the InChIKey of 1-(1H-indazol-4-yl)-3-(7-methyl-2,3-dihydro-1H-inden-1-yl)urea?
The InChIKey is QDWZACMXOZMDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-11-4-2-5-12-8-9-16(17(11)12)21-18(23)20-14-6-3-7-15-13(14)10-19-22-15/h2-7,10,16H,8-9H2,1H3,(H,19,22)(H2,20,21,23).
What are the key properties of 1-(1H-indazol-4-yl)-3-(7-methyl-2,3-dihydro-1H-inden-1-yl)urea?
1-(1H-indazol-4-yl)-3-(7-methyl-2,3-dihydro-1H-inden-1-yl)urea has a molecular weight of 306.37 g/mol, XLogP of 3.68, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-4-yl)-3-(7-methyl-2,3-dihydro-1H-inden-1-yl)urea is sourced from PubChem (CID 11278186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).