1-(6-ethylsulfanyl-3-pyridinyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea

C15H19N5OS — CID 75433116

IUPAC1-(6-ethylsulfanyl-3-pyridinyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
SMILESCCSc1ccc(NC(=O)NC2CCc3[nH]ncc3C2)cn1
InChIInChI=1S/C15H19N5OS/c1-2-22-14-6-4-12(9-16-14)19-15(21)18-11-3-5-13-10(7-11)8-17-20-13/h4,6,8-9,11H,2-3,5,7H2,1H3,(H,17,20)(H2,18,19,21)
InChIKeySXGZQQADOZRHAL-UHFFFAOYSA-N
MW317.42 g/mol
LogP2.60
Rot. Bonds4

About 1-(6-ethylsulfanyl-3-pyridinyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea

1-(6-ethylsulfanyl-3-pyridinyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea (PubChem CID 75433116) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is 1-(6-ethylsulfanyl-3-pyridinyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea.

Molecular Properties

Compound Name1-(6-ethylsulfanyl-3-pyridinyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
PubChem CID75433116
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name1-(6-ethylsulfanyl-3-pyridinyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
SMILESCCSc1ccc(NC(=O)NC2CCc3[nH]ncc3C2)cn1
InChIInChI=1S/C15H19N5OS/c1-2-22-14-6-4-12(9-16-14)19-15(21)18-11-3-5-13-10(7-11)8-17-20-13/h4,6,8-9,11H,2-3,5,7H2,1H3,(H,17,20)(H2,18,19,21)
InChIKeySXGZQQADOZRHAL-UHFFFAOYSA-N
XLogP2.60
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethylsulfanyl-3-pyridinyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea?
The IUPAC name of 1-(6-ethylsulfanyl-3-pyridinyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea (CID 75433116) is 1-(6-ethylsulfanyl-3-pyridinyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea.
What is the SMILES notation for 1-(6-ethylsulfanyl-3-pyridinyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea?
The canonical SMILES for 1-(6-ethylsulfanyl-3-pyridinyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea is CCSc1ccc(NC(=O)NC2CCc3[nH]ncc3C2)cn1.
What is the InChIKey of 1-(6-ethylsulfanyl-3-pyridinyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea?
The InChIKey is SXGZQQADOZRHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-2-22-14-6-4-12(9-16-14)19-15(21)18-11-3-5-13-10(7-11)8-17-20-13/h4,6,8-9,11H,2-3,5,7H2,1H3,(H,17,20)(H2,18,19,21).
What are the key properties of 1-(6-ethylsulfanyl-3-pyridinyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea?
1-(6-ethylsulfanyl-3-pyridinyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea has a molecular weight of 317.42 g/mol, XLogP of 2.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethylsulfanyl-3-pyridinyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea is sourced from PubChem (CID 75433116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).