1-(8-tert-butyl-3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea

C21H24N4O2 — CID 11653471

IUPAC1-(8-tert-butyl-3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea
SMILESCC(C)(C)c1cccc2c1OCCC2NC(=O)Nc1cccc2[nH]ncc12
InChIInChI=1S/C21H24N4O2/c1-21(2,3)15-7-4-6-13-17(10-11-27-19(13)15)24-20(26)23-16-8-5-9-18-14(16)12-22-25-18/h4-9,12,17H,10-11H2,1-3H3,(H,22,25)(H2,23,24,26)
InChIKeyFGVFFUSBPJFGCF-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.51
Rot. Bonds2

About 1-(8-tert-butyl-3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea

1-(8-tert-butyl-3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea (PubChem CID 11653471) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-(8-tert-butyl-3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea.

Molecular Properties

Compound Name1-(8-tert-butyl-3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea
PubChem CID11653471
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-(8-tert-butyl-3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea
SMILESCC(C)(C)c1cccc2c1OCCC2NC(=O)Nc1cccc2[nH]ncc12
InChIInChI=1S/C21H24N4O2/c1-21(2,3)15-7-4-6-13-17(10-11-27-19(13)15)24-20(26)23-16-8-5-9-18-14(16)12-22-25-18/h4-9,12,17H,10-11H2,1-3H3,(H,22,25)(H2,23,24,26)
InChIKeyFGVFFUSBPJFGCF-UHFFFAOYSA-N
XLogP4.51
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea
CID 11244984
1-[4-(3,3-dimethylbutyl)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-3-(1H-indazol-4-yl)urea
CID 69456465
1-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea
CID 24777768
1-(7-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-3-(1H-indazol-4-yl)urea
CID 24804626
1-[3-(4-tert-butylphenyl)cyclohexyl]-3-(1H-indazol-4-yl)urea
CID 66551491
2-[4-[[8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]carbamoylamino]indazol-1-yl]acetic acid
CID 174581519
1-[(1R,2S)-5-tert-butyl-2-fluoro-2,3-dihydro-1H-inden-1-yl]-3-(1H-indazol-4-yl)urea
CID 67188737
1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)thiourea
CID 24777890
1-(1H-indazol-4-yl)-3-[(1S,3S)-3-phenylcyclopentyl]urea
CID 66551085
1-(1H-indazol-4-yl)-3-(2-phenyl-7-bicyclo[4.1.0]hepta-1,3,5-trienyl)urea
CID 141111395
1-[(4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(1H-indazol-4-yl)urea
CID 25264617
1-(1H-indazol-4-yl)-3-[(1S,3R)-3-[4-(trifluoromethyl)phenyl]cyclopentyl]urea
CID 66551873

Frequently Asked Questions

What is the IUPAC name of 1-(8-tert-butyl-3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea?
The IUPAC name of 1-(8-tert-butyl-3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea (CID 11653471) is 1-(8-tert-butyl-3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea.
What is the SMILES notation for 1-(8-tert-butyl-3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea?
The canonical SMILES for 1-(8-tert-butyl-3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea is CC(C)(C)c1cccc2c1OCCC2NC(=O)Nc1cccc2[nH]ncc12.
What is the InChIKey of 1-(8-tert-butyl-3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea?
The InChIKey is FGVFFUSBPJFGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-21(2,3)15-7-4-6-13-17(10-11-27-19(13)15)24-20(26)23-16-8-5-9-18-14(16)12-22-25-18/h4-9,12,17H,10-11H2,1-3H3,(H,22,25)(H2,23,24,26).
What are the key properties of 1-(8-tert-butyl-3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea?
1-(8-tert-butyl-3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea has a molecular weight of 364.45 g/mol, XLogP of 4.51, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-tert-butyl-3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea is sourced from PubChem (CID 11653471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).