1-(1H-indazol-4-yl)-3-(6-methyl-3,4-dihydro-2H-chromen-4-yl)urea

C18H18N4O2 — CID 53251330

IUPAC1-(1H-indazol-4-yl)-3-(6-methyl-3,4-dihydro-2H-chromen-4-yl)urea
SMILESCc1ccc2c(c1)C(NC(=O)Nc1cccc3[nH]ncc13)CCO2
InChIInChI=1S/C18H18N4O2/c1-11-5-6-17-12(9-11)15(7-8-24-17)21-18(23)20-14-3-2-4-16-13(14)10-19-22-16/h2-6,9-10,15H,7-8H2,1H3,(H,19,22)(H2,20,21,23)
InChIKeyVKINZKIRILCDFD-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.52
Rot. Bonds2

About 1-(1H-indazol-4-yl)-3-(6-methyl-3,4-dihydro-2H-chromen-4-yl)urea

1-(1H-indazol-4-yl)-3-(6-methyl-3,4-dihydro-2H-chromen-4-yl)urea (PubChem CID 53251330) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-(1H-indazol-4-yl)-3-(6-methyl-3,4-dihydro-2H-chromen-4-yl)urea.

Molecular Properties

Compound Name1-(1H-indazol-4-yl)-3-(6-methyl-3,4-dihydro-2H-chromen-4-yl)urea
PubChem CID53251330
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name1-(1H-indazol-4-yl)-3-(6-methyl-3,4-dihydro-2H-chromen-4-yl)urea
SMILESCc1ccc2c(c1)C(NC(=O)Nc1cccc3[nH]ncc13)CCO2
InChIInChI=1S/C18H18N4O2/c1-11-5-6-17-12(9-11)15(7-8-24-17)21-18(23)20-14-3-2-4-16-13(14)10-19-22-16/h2-6,9-10,15H,7-8H2,1H3,(H,19,22)(H2,20,21,23)
InChIKeyVKINZKIRILCDFD-UHFFFAOYSA-N
XLogP3.52
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-4-yl)-3-(6-methyl-3,4-dihydro-2H-chromen-4-yl)urea?
The IUPAC name of 1-(1H-indazol-4-yl)-3-(6-methyl-3,4-dihydro-2H-chromen-4-yl)urea (CID 53251330) is 1-(1H-indazol-4-yl)-3-(6-methyl-3,4-dihydro-2H-chromen-4-yl)urea.
What is the SMILES notation for 1-(1H-indazol-4-yl)-3-(6-methyl-3,4-dihydro-2H-chromen-4-yl)urea?
The canonical SMILES for 1-(1H-indazol-4-yl)-3-(6-methyl-3,4-dihydro-2H-chromen-4-yl)urea is Cc1ccc2c(c1)C(NC(=O)Nc1cccc3[nH]ncc13)CCO2.
What is the InChIKey of 1-(1H-indazol-4-yl)-3-(6-methyl-3,4-dihydro-2H-chromen-4-yl)urea?
The InChIKey is VKINZKIRILCDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-11-5-6-17-12(9-11)15(7-8-24-17)21-18(23)20-14-3-2-4-16-13(14)10-19-22-16/h2-6,9-10,15H,7-8H2,1H3,(H,19,22)(H2,20,21,23).
What are the key properties of 1-(1H-indazol-4-yl)-3-(6-methyl-3,4-dihydro-2H-chromen-4-yl)urea?
1-(1H-indazol-4-yl)-3-(6-methyl-3,4-dihydro-2H-chromen-4-yl)urea has a molecular weight of 322.37 g/mol, XLogP of 3.52, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-4-yl)-3-(6-methyl-3,4-dihydro-2H-chromen-4-yl)urea is sourced from PubChem (CID 53251330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).