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

C20H25N5O3S — CID 147586112

IUPAC1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)sulfonyl]urea
SMILESCC1CNc2c(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)cnn2C1
InChIInChI=1S/C20H25N5O3S/c1-12-9-21-19-17(10-22-25(19)11-12)29(27,28)24-20(26)23-18-15-6-2-4-13(15)8-14-5-3-7-16(14)18/h8,10,12,21H,2-7,9,11H2,1H3,(H2,23,24,26)
InChIKeyFXJBPINQXPNGGK-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.43
Rot. Bonds3

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

1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)sulfonyl]urea (PubChem CID 147586112) has the molecular formula C20H25N5O3S and a molecular weight of 415.52 g/mol. Its IUPAC name is 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)sulfonyl]urea.

Molecular Properties

Compound Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)sulfonyl]urea
PubChem CID147586112
Molecular FormulaC20H25N5O3S
Molecular Weight415.52 g/mol
Exact Mass415.17
IUPAC Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)sulfonyl]urea
SMILESCC1CNc2c(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)cnn2C1
InChIInChI=1S/C20H25N5O3S/c1-12-9-21-19-17(10-22-25(19)11-12)29(27,28)24-20(26)23-18-15-6-2-4-13(15)8-14-5-3-7-16(14)18/h8,10,12,21H,2-7,9,11H2,1H3,(H2,23,24,26)
InChIKeyFXJBPINQXPNGGK-UHFFFAOYSA-N
XLogP2.43
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[(6R)-6-(methylaminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea
CID 170014232
1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 135240787
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[6-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonimidoyl]urea
CID 146303883
CID 163486475
CID 163486475
ethyl N-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]carbamate
CID 135241172
1-(1-acetylpyrazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 142478790
1-(3,7-dioxa-1,11-diazatricyclo[6.3.0.02,5]undeca-2(5),8,10-trien-9-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 156508597
1-[[6-(3-aminoazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 157130927
1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)sulfonyl]urea
CID 167549536
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyrimidin-5-ylsulfonylurea
CID 137404275
1-[[6-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)urea
CID 167303965
1-[(2,3-dimethyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(5-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(7-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea
CID 167650038

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)sulfonyl]urea?
The IUPAC name of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)sulfonyl]urea (CID 147586112) is 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)sulfonyl]urea.
What is the SMILES notation for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)sulfonyl]urea?
The canonical SMILES for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)sulfonyl]urea is CC1CNc2c(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)cnn2C1.
What is the InChIKey of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)sulfonyl]urea?
The InChIKey is FXJBPINQXPNGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3S/c1-12-9-21-19-17(10-22-25(19)11-12)29(27,28)24-20(26)23-18-15-6-2-4-13(15)8-14-5-3-7-16(14)18/h8,10,12,21H,2-7,9,11H2,1H3,(H2,23,24,26).
What are the key properties of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)sulfonyl]urea?
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)sulfonyl]urea has a molecular weight of 415.52 g/mol, XLogP of 2.43, 3 rotatable bonds, 3 hydrogen bond donors, and 6 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-[(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)sulfonyl]urea is sourced from PubChem (CID 147586112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).