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

C17H16N4O2 — CID 11638123

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea
SMILESO=C(Nc1cccc2[nH]ncc12)NC1CCOc2ccccc21
InChIInChI=1S/C17H16N4O2/c22-17(19-13-5-3-6-15-12(13)10-18-21-15)20-14-8-9-23-16-7-2-1-4-11(14)16/h1-7,10,14H,8-9H2,(H,18,21)(H2,19,20,22)
InChIKeyJCIVLZGCUOMREG-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.21
Rot. Bonds2

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

1-(3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea (PubChem CID 11638123) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea
PubChem CID11638123
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea
SMILESO=C(Nc1cccc2[nH]ncc12)NC1CCOc2ccccc21
InChIInChI=1S/C17H16N4O2/c22-17(19-13-5-3-6-15-12(13)10-18-21-15)20-14-8-9-23-16-7-2-1-4-11(14)16/h1-7,10,14H,8-9H2,(H,18,21)(H2,19,20,22)
InChIKeyJCIVLZGCUOMREG-UHFFFAOYSA-N
XLogP3.21
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea (CID 11638123) is 1-(3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea is O=C(Nc1cccc2[nH]ncc12)NC1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea?
The InChIKey is JCIVLZGCUOMREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-17(19-13-5-3-6-15-12(13)10-18-21-15)20-14-8-9-23-16-7-2-1-4-11(14)16/h1-7,10,14H,8-9H2,(H,18,21)(H2,19,20,22).
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea?
1-(3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea has a molecular weight of 308.34 g/mol, XLogP of 3.21, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea is sourced from PubChem (CID 11638123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).