1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea

C17H19FN4O — CID 167916039

IUPAC1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
SMILESO=C(NC1CCc2c(F)cccc21)NC1CCCc2cn[nH]c21
InChIInChI=1S/C17H19FN4O/c18-13-5-2-4-12-11(13)7-8-14(12)20-17(23)21-15-6-1-3-10-9-19-22-16(10)15/h2,4-5,9,14-15H,1,3,6-8H2,(H,19,22)(H2,20,21,23)
InChIKeyAKUPHWCPBJKWQH-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.91
Rot. Bonds2

About 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea

1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea (PubChem CID 167916039) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea.

Molecular Properties

Compound Name1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
PubChem CID167916039
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC Name1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
SMILESO=C(NC1CCc2c(F)cccc21)NC1CCCc2cn[nH]c21
InChIInChI=1S/C17H19FN4O/c18-13-5-2-4-12-11(13)7-8-14(12)20-17(23)21-15-6-1-3-10-9-19-22-16(10)15/h2,4-5,9,14-15H,1,3,6-8H2,(H,19,22)(H2,20,21,23)
InChIKeyAKUPHWCPBJKWQH-UHFFFAOYSA-N
XLogP2.91
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]urea
CID 124888376
1,3-bis(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
CID 155950298
2-(3-fluorophenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide
CID 118740682
1-phenyl-3-[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]urea
CID 97228997
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-methylcyclohexyl)urea
CID 86838302
2-(3-ethylphenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide
CID 154738802
1-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-3-[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]urea
CID 124729926
1-spiro[2.5]octan-2-yl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
CID 127727149
1-(3-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
CID 75482362
3-(4-fluorophenyl)-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]propanamide
CID 97323769
1-[4-(methoxymethyl)cyclohexyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
CID 128727902
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975454

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea?
The IUPAC name of 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea (CID 167916039) is 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea.
What is the SMILES notation for 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea?
The canonical SMILES for 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea is O=C(NC1CCc2c(F)cccc21)NC1CCCc2cn[nH]c21.
What is the InChIKey of 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea?
The InChIKey is AKUPHWCPBJKWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c18-13-5-2-4-12-11(13)7-8-14(12)20-17(23)21-15-6-1-3-10-9-19-22-16(10)15/h2,4-5,9,14-15H,1,3,6-8H2,(H,19,22)(H2,20,21,23).
What are the key properties of 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea?
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea has a molecular weight of 314.36 g/mol, XLogP of 2.91, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea is sourced from PubChem (CID 167916039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).