1-(7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl)-3-(1-methylindazol-4-yl)urea

C23H25FN4O2 — CID 24805294

IUPAC1-(7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl)-3-(1-methylindazol-4-yl)urea
SMILESCn1ncc2c(NC(=O)NC3CC4(CCCCC4)Oc4cc(F)ccc43)cccc21
InChIInChI=1S/C23H25FN4O2/c1-28-20-7-5-6-18(17(20)14-25-28)26-22(29)27-19-13-23(10-3-2-4-11-23)30-21-12-15(24)8-9-16(19)21/h5-9,12,14,19H,2-4,10-11,13H2,1H3,(H2,26,27,29)
InChIKeyHTOXWTNBDKBTHO-UHFFFAOYSA-N
MW408.48 g/mol
LogP5.06
Rot. Bonds2

About 1-(7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl)-3-(1-methylindazol-4-yl)urea

1-(7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl)-3-(1-methylindazol-4-yl)urea (PubChem CID 24805294) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 1-(7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl)-3-(1-methylindazol-4-yl)urea.

Molecular Properties

Compound Name1-(7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl)-3-(1-methylindazol-4-yl)urea
PubChem CID24805294
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name1-(7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl)-3-(1-methylindazol-4-yl)urea
SMILESCn1ncc2c(NC(=O)NC3CC4(CCCCC4)Oc4cc(F)ccc43)cccc21
InChIInChI=1S/C23H25FN4O2/c1-28-20-7-5-6-18(17(20)14-25-28)26-22(29)27-19-13-23(10-3-2-4-11-23)30-21-12-15(24)8-9-16(19)21/h5-9,12,14,19H,2-4,10-11,13H2,1H3,(H2,26,27,29)
InChIKeyHTOXWTNBDKBTHO-UHFFFAOYSA-N
XLogP5.06
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.48
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl)-3-(1-methylindazol-4-yl)urea with MolForge

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Related Compounds

1-(2-tert-butyl-7-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-(1-methylindazol-4-yl)urea
CID 11675620
ethyl 4-[(7-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)carbamoylamino]indazole-1-carboxylate
CID 25070037
1-[(1S,3R)-3-(3-fluorophenyl)cyclopentyl]-3-(1-methylindazol-4-yl)urea
CID 66550281
1-(2-methoxyphenyl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]urea
CID 100746880
1-(7-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-3-(1H-indazol-4-yl)urea
CID 24804626
1-(1,3-dimethylpyrazol-4-yl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]urea
CID 124621687
1-[(4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(1H-indazol-4-yl)urea
CID 25264617
1,1-dimethyl-3-(1-methylindazol-4-yl)urea
CID 171763124
1-(2-methoxyphenyl)-3-[(4S)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]urea
CID 40743676
1-[(2-fluorophenyl)methyl]-3-(1-methylindazol-4-yl)urea
CID 22337656
1-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea
CID 25264908
N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carboxamide
CID 139008973

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl)-3-(1-methylindazol-4-yl)urea?
The IUPAC name of 1-(7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl)-3-(1-methylindazol-4-yl)urea (CID 24805294) is 1-(7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl)-3-(1-methylindazol-4-yl)urea.
What is the SMILES notation for 1-(7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl)-3-(1-methylindazol-4-yl)urea?
The canonical SMILES for 1-(7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl)-3-(1-methylindazol-4-yl)urea is Cn1ncc2c(NC(=O)NC3CC4(CCCCC4)Oc4cc(F)ccc43)cccc21.
What is the InChIKey of 1-(7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl)-3-(1-methylindazol-4-yl)urea?
The InChIKey is HTOXWTNBDKBTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-28-20-7-5-6-18(17(20)14-25-28)26-22(29)27-19-13-23(10-3-2-4-11-23)30-21-12-15(24)8-9-16(19)21/h5-9,12,14,19H,2-4,10-11,13H2,1H3,(H2,26,27,29).
What are the key properties of 1-(7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl)-3-(1-methylindazol-4-yl)urea?
1-(7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl)-3-(1-methylindazol-4-yl)urea has a molecular weight of 408.48 g/mol, XLogP of 5.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl)-3-(1-methylindazol-4-yl)urea is sourced from PubChem (CID 24805294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).