1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;propan-2-yl N-[[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl]sulfamate

C110H123FN24O23S5 — CID 159225125

IUPAC1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;propan-2-yl N-[[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl]sulfamate
SMILESCOc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)OC(C)C)CCC3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C(C)(C)CN4CCC4)n2)CCO3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C4CC4)n2)CCC3)c(F)cn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C4CCC4)n2)CCO3)ccn1.Cc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C(C)(C)C)n2)CCO3)ccn1
InChIInChI=1S/C25H30N6O5S.C22H22FN5O4S.C22H23N5O5S.C22H25N5O4S.C19H23N3O5S/c1-25(2,16-30-11-4-12-30)31-13-8-22(28-31)37(33,34)29-24(32)27-23-18(5-6-20-19(23)9-14-36-20)17-7-10-26-21(15-17)35-3;1-32-19-11-17(18(23)12-24-19)16-8-5-13-3-2-4-15(13)21(16)25-22(29)27-33(30,31)20-9-10-28(26-20)14-6-7-14;1-31-19-13-14(7-10-23-19)16-5-6-18-17(9-12-32-18)21(16)24-22(28)26-33(29,30)20-8-11-27(25-20)15-3-2-4-15;1-14-13-15(7-10-23-14)16-5-6-18-17(9-12-31-18)20(16)24-21(28)26-32(29,30)19-8-11-27(25-19)22(2,3)4;1-12(2)27-28(24,25)22-19(23)21-18-15-6-4-5-13(15)7-8-16(18)14-9-10-20-17(11-14)26-3/h5-8,10,13,15H,4,9,11-12,14,16H2,1-3H3,(H2,27,29,32);5,8-12,14H,2-4,6-7H2,1H3,(H2,25,27,29);5-8,10-11,13,15H,2-4,9,12H2,1H3,(H2,24,26,28);5-8,10-11,13H,9,12H2,1-4H3,(H2,24,26,28);7-12H,4-6H2,1-3H3,(H2,21,22,23)
InChIKeyKSENHSYZDQKXCC-UHFFFAOYSA-N
MW2328.67 g/mol
LogP15.88
Rot. Bonds30

About 1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;propan-2-yl N-[[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl]sulfamate

1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;propan-2-yl N-[[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl]sulfamate (PubChem CID 159225125) has the molecular formula C110H123FN24O23S5 and a molecular weight of 2328.67 g/mol. Its IUPAC name is 1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;propan-2-yl N-[[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl]sulfamate.

Molecular Properties

Compound Name1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;propan-2-yl N-[[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl]sulfamate
PubChem CID159225125
Molecular FormulaC110H123FN24O23S5
Molecular Weight2328.67 g/mol
Exact Mass2326.78
IUPAC Name1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;propan-2-yl N-[[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl]sulfamate
SMILESCOc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)OC(C)C)CCC3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C(C)(C)CN4CCC4)n2)CCO3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C4CC4)n2)CCC3)c(F)cn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C4CCC4)n2)CCO3)ccn1.Cc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C(C)(C)C)n2)CCO3)ccn1
InChIInChI=1S/C25H30N6O5S.C22H22FN5O4S.C22H23N5O5S.C22H25N5O4S.C19H23N3O5S/c1-25(2,16-30-11-4-12-30)31-13-8-22(28-31)37(33,34)29-24(32)27-23-18(5-6-20-19(23)9-14-36-20)17-7-10-26-21(15-17)35-3;1-32-19-11-17(18(23)12-24-19)16-8-5-13-3-2-4-15(13)21(16)25-22(29)27-33(30,31)20-9-10-28(26-20)14-6-7-14;1-31-19-13-14(7-10-23-19)16-5-6-18-17(9-12-32-18)21(16)24-22(28)26-33(29,30)20-8-11-27(25-20)15-3-2-4-15;1-14-13-15(7-10-23-14)16-5-6-18-17(9-12-31-18)20(16)24-21(28)26-32(29,30)19-8-11-27(25-19)22(2,3)4;1-12(2)27-28(24,25)22-19(23)21-18-15-6-4-5-13(15)7-8-16(18)14-9-10-20-17(11-14)26-3/h5-8,10,13,15H,4,9,11-12,14,16H2,1-3H3,(H2,27,29,32);5,8-12,14H,2-4,6-7H2,1H3,(H2,25,27,29);5-8,10-11,13,15H,2-4,9,12H2,1H3,(H2,24,26,28);5-8,10-11,13H,9,12H2,1-4H3,(H2,24,26,28);7-12H,4-6H2,1-3H3,(H2,21,22,23)
InChIKeyKSENHSYZDQKXCC-UHFFFAOYSA-N
XLogP15.88
TPSA589.16 Ų
H-Bond Donors10
H-Bond Acceptors37
Rotatable Bonds30
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002328.67
LogP ≤ 515.88
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1037

Analyze 1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;propan-2-yl N-[[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl]sulfamate with MolForge

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Launch Full Analysis

Related Compounds

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1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-(5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea;1-(1-cyclopropyl-4-fluoropyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-(5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea;1-[1-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea
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1-[5-(Azetidin-1-ylmethyl)-1-ethylpyrrol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-ethylpyrrol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-yl-5-propylpyrrol-3-yl)sulfonylurea
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1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonylurea;1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(1-methylpyrrolidin-3-yl)pyrazol-3-yl]sulfonylurea
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1-(1-cyclopropyl-5-propylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[1-(dimethylamino)propyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;2-[3-[[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoylsulfamoyl]pyrazol-1-yl]-N,N,2-trimethylpropanamide;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[5-(1-methylpyrrolidin-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea
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1-[1-[1-(azetidin-1-ylmethyl)cyclobutyl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[3-cyclopropyl-4-[(dimethylamino)methyl]phenyl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]urea;1-[4-[(dimethylamino)methyl]phenyl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-3-[methyl-(1-methylpyrrolidin-3-yl)sulfamoyl]urea
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1-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-1-propan-2-ylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-6-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-[2-methyl-1-(3-methylazetidin-1-yl)propan-2-yl]pyrazol-3-yl]sulfonylurea
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1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(1-methyl-2-oxo-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-(2-pyridin-4-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea
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1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[1-[1-(3-fluoroazetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)pyrazol-3-yl]sulfonylurea;1-[5-(3-methylimidazol-4-yl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(5-pyrimidin-5-yl-2,3-dihydro-1H-inden-4-yl)urea
CID 157629541
1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[1-[3-(dimethylamino)propyl]pyrazol-3-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-[1-(1-methylpiperidin-4-yl)pyrazol-3-yl]sulfonylurea
CID 157693050

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;propan-2-yl N-[[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl]sulfamate?
The IUPAC name of 1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;propan-2-yl N-[[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl]sulfamate (CID 159225125) is 1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;propan-2-yl N-[[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl]sulfamate.
What is the SMILES notation for 1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;propan-2-yl N-[[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl]sulfamate?
The canonical SMILES for 1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;propan-2-yl N-[[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl]sulfamate is COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)OC(C)C)CCC3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C(C)(C)CN4CCC4)n2)CCO3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C4CC4)n2)CCC3)c(F)cn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C4CCC4)n2)CCO3)ccn1.Cc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C(C)(C)C)n2)CCO3)ccn1.
What is the InChIKey of 1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;propan-2-yl N-[[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl]sulfamate?
The InChIKey is KSENHSYZDQKXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O5S.C22H22FN5O4S.C22H23N5O5S.C22H25N5O4S.C19H23N3O5S/c1-25(2,16-30-11-4-12-30)31-13-8-22(28-31)37(33,34)29-24(32)27-23-18(5-6-20-19(23)9-14-36-20)17-7-10-26-21(15-17)35-3;1-32-19-11-17(18(23)12-24-19)16-8-5-13-3-2-4-15(13)21(16)25-22(29)27-33(30,31)20-9-10-28(26-20)14-6-7-14;1-31-19-13-14(7-10-23-19)16-5-6-18-17(9-12-32-18)21(16)24-22(28)26-33(29,30)20-8-11-27(25-20)15-3-2-4-15;1-14-13-15(7-10-23-14)16-5-6-18-17(9-12-31-18)20(16)24-21(28)26-32(29,30)19-8-11-27(25-19)22(2,3)4;1-12(2)27-28(24,25)22-19(23)21-18-15-6-4-5-13(15)7-8-16(18)14-9-10-20-17(11-14)26-3/h5-8,10,13,15H,4,9,11-12,14,16H2,1-3H3,(H2,27,29,32);5,8-12,14H,2-4,6-7H2,1H3,(H2,25,27,29);5-8,10-11,13,15H,2-4,9,12H2,1H3,(H2,24,26,28);5-8,10-11,13H,9,12H2,1-4H3,(H2,24,26,28);7-12H,4-6H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;propan-2-yl N-[[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl]sulfamate?
1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;propan-2-yl N-[[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl]sulfamate has a molecular weight of 2328.67 g/mol, XLogP of 15.88, 30 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;propan-2-yl N-[[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl]sulfamate is sourced from PubChem (CID 159225125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).