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

C21H22FN5O2 — CID 24777650

IUPAC1-(5-fluoro-4-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea
SMILESO=C(Nc1cccc2[nH]ncc12)NC1CCc2c1ccc(F)c2N1CCOCC1
InChIInChI=1S/C21H22FN5O2/c22-16-6-4-13-14(20(16)27-8-10-29-11-9-27)5-7-18(13)25-21(28)24-17-2-1-3-19-15(17)12-23-26-19/h1-4,6,12,18H,5,7-11H2,(H,23,26)(H2,24,25,28)
InChIKeyJYYDBVOVDJIMDV-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.35
Rot. Bonds3

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

1-(5-fluoro-4-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea (PubChem CID 24777650) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is 1-(5-fluoro-4-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea.

Molecular Properties

Compound Name1-(5-fluoro-4-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea
PubChem CID24777650
Molecular FormulaC21H22FN5O2
Molecular Weight395.44 g/mol
Exact Mass395.18
IUPAC Name1-(5-fluoro-4-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea
SMILESO=C(Nc1cccc2[nH]ncc12)NC1CCc2c1ccc(F)c2N1CCOCC1
InChIInChI=1S/C21H22FN5O2/c22-16-6-4-13-14(20(16)27-8-10-29-11-9-27)5-7-18(13)25-21(28)24-17-2-1-3-19-15(17)12-23-26-19/h1-4,6,12,18H,5,7-11H2,(H,23,26)(H2,24,25,28)
InChIKeyJYYDBVOVDJIMDV-UHFFFAOYSA-N
XLogP3.35
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Abt 102
CID 11256560
1-[(1R,3R)-3-(2-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 60202428
1-[(1S,3S)-3-(2-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 66549082
1-[(1S,3S)-3-(3-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 66549271
1-[(1S,3R)-3-(3-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 66549275
1-(1H-indazol-4-yl)-3-[(1S,3S)-3-phenylcyclopentyl]urea
CID 66551085
1-(1H-indazol-4-yl)-3-[(1S,3R)-3-phenylcyclopentyl]urea
CID 66551282
A-795614
CID 11451659
1-{[4-(azepan-1-yl)-2-(trifluoromethyl)phenyl]methyl}-3-1H-indazol-4-ylurea
CID 16748249
1-[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]-3-(1H-indazol-5-yl)urea
CID 11488078
1-({4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-2-(propan-2-yl)phenyl}methyl)-3-1H-indazol-4-ylurea
CID 16747867
1-({4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-2-(3,3-dimethylbutyl)phenyl}methyl)-3-1H-indazol-4-ylurea
CID 16747868

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-4-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea?
The IUPAC name of 1-(5-fluoro-4-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea (CID 24777650) is 1-(5-fluoro-4-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea.
What is the SMILES notation for 1-(5-fluoro-4-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea?
The canonical SMILES for 1-(5-fluoro-4-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea is O=C(Nc1cccc2[nH]ncc12)NC1CCc2c1ccc(F)c2N1CCOCC1.
What is the InChIKey of 1-(5-fluoro-4-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea?
The InChIKey is JYYDBVOVDJIMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2/c22-16-6-4-13-14(20(16)27-8-10-29-11-9-27)5-7-18(13)25-21(28)24-17-2-1-3-19-15(17)12-23-26-19/h1-4,6,12,18H,5,7-11H2,(H,23,26)(H2,24,25,28).
What are the key properties of 1-(5-fluoro-4-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea?
1-(5-fluoro-4-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea has a molecular weight of 395.44 g/mol, XLogP of 3.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-4-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea is sourced from PubChem (CID 24777650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).