1-[amino-(6-cyclopentyl-3-pyridinyl)-oxo-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea

C23H28N4O2S — CID 146610891

IUPAC1-[amino-(6-cyclopentyl-3-pyridinyl)-oxo-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
SMILESNS(=O)(=NC(=O)Nc1c2c(cc3c1CCC3)CCC2)c1ccc(C2CCCC2)nc1
InChIInChI=1S/C23H28N4O2S/c24-30(29,18-11-12-21(25-14-18)15-5-1-2-6-15)27-23(28)26-22-19-9-3-7-16(19)13-17-8-4-10-20(17)22/h11-15H,1-10H2,(H3,24,26,27,28,29)
InChIKeyZDWSOGVUHXOBKD-UHFFFAOYSA-N
MW424.57 g/mol
LogP4.65
Rot. Bonds3

About 1-[amino-(6-cyclopentyl-3-pyridinyl)-oxo-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea

1-[amino-(6-cyclopentyl-3-pyridinyl)-oxo-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea (PubChem CID 146610891) has the molecular formula C23H28N4O2S and a molecular weight of 424.57 g/mol. Its IUPAC name is 1-[amino-(6-cyclopentyl-3-pyridinyl)-oxo-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea.

Molecular Properties

Compound Name1-[amino-(6-cyclopentyl-3-pyridinyl)-oxo-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
PubChem CID146610891
Molecular FormulaC23H28N4O2S
Molecular Weight424.57 g/mol
Exact Mass424.19
IUPAC Name1-[amino-(6-cyclopentyl-3-pyridinyl)-oxo-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
SMILESNS(=O)(=NC(=O)Nc1c2c(cc3c1CCC3)CCC2)c1ccc(C2CCCC2)nc1
InChIInChI=1S/C23H28N4O2S/c24-30(29,18-11-12-21(25-14-18)15-5-1-2-6-15)27-23(28)26-22-19-9-3-7-16(19)13-17-8-4-10-20(17)22/h11-15H,1-10H2,(H3,24,26,27,28,29)
InChIKeyZDWSOGVUHXOBKD-UHFFFAOYSA-N
XLogP4.65
TPSA97.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

1-[amino-[6-[(dimethylamino)methyl]-3-pyridinyl]-oxo-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 137453124
1-[amino-[4-(azetidin-2-yl)phenyl]-oxo-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 146571021
1-[amino-[3-(hydroxymethyl)phenyl]-oxo-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 146570547
1-[amino-[3-(2-hydroxypropan-2-yl)phenyl]-oxo-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 137453289
1-[amino-(2-tert-butyl-1,3-thiazol-5-yl)-oxo-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 167348293
1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-oxo-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 137453321
1-(amino-methyl-oxo-λ6-sulfanylidene)-3-(2-tricyclo[6.3.0.03,6]undeca-1,3(6),7-trienyl)urea
CID 146603514
1-[amino-(3-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)-oxo-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 165370310
1-[amino-[3-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]-oxo-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 167348310
1-[amino-(1-ethylpyrazol-3-yl)-oxo-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 146610658
1-[amino-(1-ethylpyrazol-3-yl)-oxo-λ6-sulfanylidene]-3-(2-tricyclo[6.3.0.03,6]undeca-1,3(6),7-trienyl)urea
CID 146612068
1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-3-(6-cyclopropyl-5-methyl-2,3-dihydro-1H-inden-4-yl)urea
CID 146610747

Frequently Asked Questions

What is the IUPAC name of 1-[amino-(6-cyclopentyl-3-pyridinyl)-oxo-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
The IUPAC name of 1-[amino-(6-cyclopentyl-3-pyridinyl)-oxo-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea (CID 146610891) is 1-[amino-(6-cyclopentyl-3-pyridinyl)-oxo-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea.
What is the SMILES notation for 1-[amino-(6-cyclopentyl-3-pyridinyl)-oxo-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
The canonical SMILES for 1-[amino-(6-cyclopentyl-3-pyridinyl)-oxo-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea is NS(=O)(=NC(=O)Nc1c2c(cc3c1CCC3)CCC2)c1ccc(C2CCCC2)nc1.
What is the InChIKey of 1-[amino-(6-cyclopentyl-3-pyridinyl)-oxo-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
The InChIKey is ZDWSOGVUHXOBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2S/c24-30(29,18-11-12-21(25-14-18)15-5-1-2-6-15)27-23(28)26-22-19-9-3-7-16(19)13-17-8-4-10-20(17)22/h11-15H,1-10H2,(H3,24,26,27,28,29).
What are the key properties of 1-[amino-(6-cyclopentyl-3-pyridinyl)-oxo-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
1-[amino-(6-cyclopentyl-3-pyridinyl)-oxo-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea has a molecular weight of 424.57 g/mol, XLogP of 4.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(6-cyclopentyl-3-pyridinyl)-oxo-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea is sourced from PubChem (CID 146610891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).