1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)urea

C20H24N4O3S — CID 135241441

IUPAC1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)urea
SMILESO=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1cnn2c1CCCC2
InChIInChI=1S/C20H24N4O3S/c25-20(23-28(26,27)18-12-21-24-10-2-1-9-17(18)24)22-19-15-7-3-5-13(15)11-14-6-4-8-16(14)19/h11-12H,1-10H2,(H2,22,23,25)
InChIKeyUGUIUUQWFRIUMQ-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.71
Rot. Bonds3

About 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)urea

1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)urea (PubChem CID 135241441) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)urea.

Molecular Properties

Compound Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)urea
PubChem CID135241441
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)urea
SMILESO=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1cnn2c1CCCC2
InChIInChI=1S/C20H24N4O3S/c25-20(23-28(26,27)18-12-21-24-10-2-1-9-17(18)24)22-19-15-7-3-5-13(15)11-14-6-4-8-16(14)19/h11-12H,1-10H2,(H2,22,23,25)
InChIKeyUGUIUUQWFRIUMQ-UHFFFAOYSA-N
XLogP2.71
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)urea?
The IUPAC name of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)urea (CID 135241441) is 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)urea.
What is the SMILES notation for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)urea?
The canonical SMILES for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)urea is O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1cnn2c1CCCC2.
What is the InChIKey of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)urea?
The InChIKey is UGUIUUQWFRIUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c25-20(23-28(26,27)18-12-21-24-10-2-1-9-17(18)24)22-19-15-7-3-5-13(15)11-14-6-4-8-16(14)19/h11-12H,1-10H2,(H2,22,23,25).
What are the key properties of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)urea?
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)urea has a molecular weight of 400.50 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)urea is sourced from PubChem (CID 135241441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).