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

C23H26N4O2 — CID 11516653

IUPAC1-(8-cyclohexyl-3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea
SMILESO=C(Nc1cccc2[nH]ncc12)NC1CCOc2c(C3CCCCC3)cccc21
InChIInChI=1S/C23H26N4O2/c28-23(25-19-10-5-11-21-18(19)14-24-27-21)26-20-12-13-29-22-16(8-4-9-17(20)22)15-6-2-1-3-7-15/h4-5,8-11,14-15,20H,1-3,6-7,12-13H2,(H,24,27)(H2,25,26,28)
InChIKeyNVMRZBHUMZFLEI-UHFFFAOYSA-N
MW390.49 g/mol
LogP5.26
Rot. Bonds3

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

1-(8-cyclohexyl-3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea (PubChem CID 11516653) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-(8-cyclohexyl-3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea.

Molecular Properties

Compound Name1-(8-cyclohexyl-3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea
PubChem CID11516653
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name1-(8-cyclohexyl-3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea
SMILESO=C(Nc1cccc2[nH]ncc12)NC1CCOc2c(C3CCCCC3)cccc21
InChIInChI=1S/C23H26N4O2/c28-23(25-19-10-5-11-21-18(19)14-24-27-21)26-20-12-13-29-22-16(8-4-9-17(20)22)15-6-2-1-3-7-15/h4-5,8-11,14-15,20H,1-3,6-7,12-13H2,(H,24,27)(H2,25,26,28)
InChIKeyNVMRZBHUMZFLEI-UHFFFAOYSA-N
XLogP5.26
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 55.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(8-cyclohexyl-3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea?
The IUPAC name of 1-(8-cyclohexyl-3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea (CID 11516653) is 1-(8-cyclohexyl-3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea.
What is the SMILES notation for 1-(8-cyclohexyl-3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea?
The canonical SMILES for 1-(8-cyclohexyl-3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea is O=C(Nc1cccc2[nH]ncc12)NC1CCOc2c(C3CCCCC3)cccc21.
What is the InChIKey of 1-(8-cyclohexyl-3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea?
The InChIKey is NVMRZBHUMZFLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c28-23(25-19-10-5-11-21-18(19)14-24-27-21)26-20-12-13-29-22-16(8-4-9-17(20)22)15-6-2-1-3-7-15/h4-5,8-11,14-15,20H,1-3,6-7,12-13H2,(H,24,27)(H2,25,26,28).
What are the key properties of 1-(8-cyclohexyl-3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea?
1-(8-cyclohexyl-3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea has a molecular weight of 390.49 g/mol, XLogP of 5.26, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-cyclohexyl-3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea is sourced from PubChem (CID 11516653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).