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

C18H18N4O2 — CID 11290223

IUPAC1-(1H-indazol-4-yl)-3-(5-methoxy-2,3-dihydro-1H-inden-1-yl)urea
SMILESCOc1ccc2c(c1)CCC2NC(=O)Nc1cccc2[nH]ncc12
InChIInChI=1S/C18H18N4O2/c1-24-12-6-7-13-11(9-12)5-8-16(13)21-18(23)20-15-3-2-4-17-14(15)10-19-22-17/h2-4,6-7,9-10,16H,5,8H2,1H3,(H,19,22)(H2,20,21,23)
InChIKeyZBISBOUCIVCJOF-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.38
Rot. Bonds3

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

1-(1H-indazol-4-yl)-3-(5-methoxy-2,3-dihydro-1H-inden-1-yl)urea (PubChem CID 11290223) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-(1H-indazol-4-yl)-3-(5-methoxy-2,3-dihydro-1H-inden-1-yl)urea.

Molecular Properties

Compound Name1-(1H-indazol-4-yl)-3-(5-methoxy-2,3-dihydro-1H-inden-1-yl)urea
PubChem CID11290223
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name1-(1H-indazol-4-yl)-3-(5-methoxy-2,3-dihydro-1H-inden-1-yl)urea
SMILESCOc1ccc2c(c1)CCC2NC(=O)Nc1cccc2[nH]ncc12
InChIInChI=1S/C18H18N4O2/c1-24-12-6-7-13-11(9-12)5-8-16(13)21-18(23)20-15-3-2-4-17-14(15)10-19-22-17/h2-4,6-7,9-10,16H,5,8H2,1H3,(H,19,22)(H2,20,21,23)
InChIKeyZBISBOUCIVCJOF-UHFFFAOYSA-N
XLogP3.38
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-1H-indazol-4-yl-1-{[4-(trifluoromethoxy)phenyl]methyl}urea
CID 11382514
3-(1-methyl-1H-indazol-4-yl)-1-{[4-(trifluoromethoxy)phenyl]methyl}urea
CID 11405844
1-(chroman-4-yl)-3-(1H-indazol-4-yl)urea
CID 11638123
1-(7-tert-butylchroman-4-yl)-3-(1H-indazol-4-yl)urea
CID 11646277
1-(1-benzyl-6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)-3-(1H-indazol-4-yl)urea
CID 11669102
1-(1-(cyclohexylmethyl)-6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)-3-(1H-indazol-4-yl)urea
CID 11711740
1-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(1H-indazol-4-yl)urea
CID 25264622
1-(1H-indazol-4-yl)-3-(6-methylchroman-4-yl)urea
CID 53251330
1-[(3-methoxyphenyl)methyl]-3-[4-(5-methyl-1H-pyrazol-4-yl)phenyl]urea
CID 68560881
1-(1H-indazol-5-yl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 70691934
1-(1H-indazol-4-yl)-3-(2-phenoxy-4-(trifluoromethyl)benzyl)urea
CID 46890561
(R)-1-(7-tert-butylchroman-4-yl)-3-(1H-indazol-4-yl)urea
CID 53326526

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-4-yl)-3-(5-methoxy-2,3-dihydro-1H-inden-1-yl)urea?
The IUPAC name of 1-(1H-indazol-4-yl)-3-(5-methoxy-2,3-dihydro-1H-inden-1-yl)urea (CID 11290223) is 1-(1H-indazol-4-yl)-3-(5-methoxy-2,3-dihydro-1H-inden-1-yl)urea.
What is the SMILES notation for 1-(1H-indazol-4-yl)-3-(5-methoxy-2,3-dihydro-1H-inden-1-yl)urea?
The canonical SMILES for 1-(1H-indazol-4-yl)-3-(5-methoxy-2,3-dihydro-1H-inden-1-yl)urea is COc1ccc2c(c1)CCC2NC(=O)Nc1cccc2[nH]ncc12.
What is the InChIKey of 1-(1H-indazol-4-yl)-3-(5-methoxy-2,3-dihydro-1H-inden-1-yl)urea?
The InChIKey is ZBISBOUCIVCJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-24-12-6-7-13-11(9-12)5-8-16(13)21-18(23)20-15-3-2-4-17-14(15)10-19-22-17/h2-4,6-7,9-10,16H,5,8H2,1H3,(H,19,22)(H2,20,21,23).
What are the key properties of 1-(1H-indazol-4-yl)-3-(5-methoxy-2,3-dihydro-1H-inden-1-yl)urea?
1-(1H-indazol-4-yl)-3-(5-methoxy-2,3-dihydro-1H-inden-1-yl)urea has a molecular weight of 322.37 g/mol, XLogP of 3.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-4-yl)-3-(5-methoxy-2,3-dihydro-1H-inden-1-yl)urea is sourced from PubChem (CID 11290223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).