1-[5-(azetidin-1-ylmethyl)-1-tert-butylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[1-tert-butyl-5-[(dimethylamino)methyl]pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[2-(2,5-dimethylpyrazol-3-yl)-4-fluoro-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea

C139H185F4N35O18S6 — CID 158452382

IUPAC1-[5-(azetidin-1-ylmethyl)-1-tert-butylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[1-tert-butyl-5-[(dimethylamino)methyl]pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[2-(2,5-dimethylpyrazol-3-yl)-4-fluoro-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea
SMILESCC(C)(C)n1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1CN1CCC1.CC(C)c1cc(F)cc(-c2ccccc2)c1NC(=O)NS(=O)(=O)c1cc(CN(C)C)n(C(C)C)n1.CC(C)c1cc(F)cc(-c2cccnc2)c1NC(=O)NS(=O)(=O)c1cc(CN(C)C)n(C)n1.CC(C)c1cc(F)cc(-c2cncnc2)c1NC(=O)NS(=O)(=O)c1cc(CN(C)C)n(C(C)C)n1.CN(C)Cc1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1C(C)(C)C.Cc1cc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2cc(CN(C)C)n(C)n2)n(C)n1
InChIInChI=1S/C25H32FN5O3S.C24H33N5O3S.C23H30FN7O3S.C23H33N5O3S.C22H30FN7O3S.C22H27FN6O3S/c1-16(2)21-12-19(26)13-22(18-10-8-7-9-11-18)24(21)27-25(32)29-35(33,34)23-14-20(15-30(5)6)31(28-23)17(3)4;1-24(2,3)29-18(15-28-11-6-12-28)14-21(26-29)33(31,32)27-23(30)25-22-19-9-4-7-16(19)13-17-8-5-10-20(17)22;1-14(2)19-7-17(24)8-20(16-10-25-13-26-11-16)22(19)27-23(32)29-35(33,34)21-9-18(12-30(5)6)31(28-21)15(3)4;1-23(2,3)28-17(14-27(4)5)13-20(25-28)32(30,31)26-22(29)24-21-18-10-6-8-15(18)12-16-9-7-11-19(16)21;1-13(2)17-9-15(23)10-18(19-8-14(3)25-30(19)7)21(17)24-22(31)27-34(32,33)20-11-16(12-28(4)5)29(6)26-20;1-14(2)18-9-16(23)10-19(15-7-6-8-24-12-15)21(18)25-22(30)27-33(31,32)20-11-17(13-28(3)4)29(5)26-20/h7-14,16-17H,15H2,1-6H3,(H2,27,29,32);13-14H,4-12,15H2,1-3H3,(H2,25,27,30);7-11,13-15H,12H2,1-6H3,(H2,27,29,32);12-13H,6-11,14H2,1-5H3,(H2,24,26,29);8-11,13H,12H2,1-7H3,(H2,24,27,31);6-12,14H,13H2,1-5H3,(H2,25,27,30)
InChIKeyHEDSFWIIKDCXCX-UHFFFAOYSA-N
MW2902.63 g/mol
LogP21.52
Rot. Bonds40

About 1-[5-(azetidin-1-ylmethyl)-1-tert-butylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[1-tert-butyl-5-[(dimethylamino)methyl]pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[2-(2,5-dimethylpyrazol-3-yl)-4-fluoro-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea

1-[5-(azetidin-1-ylmethyl)-1-tert-butylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[1-tert-butyl-5-[(dimethylamino)methyl]pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[2-(2,5-dimethylpyrazol-3-yl)-4-fluoro-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea (PubChem CID 158452382) has the molecular formula C139H185F4N35O18S6 and a molecular weight of 2902.63 g/mol. Its IUPAC name is 1-[5-(azetidin-1-ylmethyl)-1-tert-butylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[1-tert-butyl-5-[(dimethylamino)methyl]pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[2-(2,5-dimethylpyrazol-3-yl)-4-fluoro-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea.

Molecular Properties

Compound Name1-[5-(azetidin-1-ylmethyl)-1-tert-butylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[1-tert-butyl-5-[(dimethylamino)methyl]pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[2-(2,5-dimethylpyrazol-3-yl)-4-fluoro-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea
PubChem CID158452382
Molecular FormulaC139H185F4N35O18S6
Molecular Weight2902.63 g/mol
Exact Mass2900.29
IUPAC Name1-[5-(azetidin-1-ylmethyl)-1-tert-butylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[1-tert-butyl-5-[(dimethylamino)methyl]pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[2-(2,5-dimethylpyrazol-3-yl)-4-fluoro-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea
SMILESCC(C)(C)n1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1CN1CCC1.CC(C)c1cc(F)cc(-c2ccccc2)c1NC(=O)NS(=O)(=O)c1cc(CN(C)C)n(C(C)C)n1.CC(C)c1cc(F)cc(-c2cccnc2)c1NC(=O)NS(=O)(=O)c1cc(CN(C)C)n(C)n1.CC(C)c1cc(F)cc(-c2cncnc2)c1NC(=O)NS(=O)(=O)c1cc(CN(C)C)n(C(C)C)n1.CN(C)Cc1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1C(C)(C)C.Cc1cc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2cc(CN(C)C)n(C)n2)n(C)n1
InChIInChI=1S/C25H32FN5O3S.C24H33N5O3S.C23H30FN7O3S.C23H33N5O3S.C22H30FN7O3S.C22H27FN6O3S/c1-16(2)21-12-19(26)13-22(18-10-8-7-9-11-18)24(21)27-25(32)29-35(33,34)23-14-20(15-30(5)6)31(28-23)17(3)4;1-24(2,3)29-18(15-28-11-6-12-28)14-21(26-29)33(31,32)27-23(30)25-22-19-9-4-7-16(19)13-17-8-5-10-20(17)22;1-14(2)19-7-17(24)8-20(16-10-25-13-26-11-16)22(19)27-23(32)29-35(33,34)21-9-18(12-30(5)6)31(28-21)15(3)4;1-23(2,3)28-17(14-27(4)5)13-20(25-28)32(30,31)26-22(29)24-21-18-10-6-8-15(18)12-16-9-7-11-19(16)21;1-13(2)17-9-15(23)10-18(19-8-14(3)25-30(19)7)21(17)24-22(31)27-34(32,33)20-11-16(12-28(4)5)29(6)26-20;1-14(2)18-9-16(23)10-19(15-7-6-8-24-12-15)21(18)25-22(30)27-33(31,32)20-11-17(13-28(3)4)29(5)26-20/h7-14,16-17H,15H2,1-6H3,(H2,27,29,32);13-14H,4-12,15H2,1-3H3,(H2,25,27,30);7-11,13-15H,12H2,1-6H3,(H2,27,29,32);12-13H,6-11,14H2,1-5H3,(H2,24,26,29);8-11,13H,12H2,1-7H3,(H2,24,27,31);6-12,14H,13H2,1-5H3,(H2,25,27,30)
InChIKeyHEDSFWIIKDCXCX-UHFFFAOYSA-N
XLogP21.52
TPSA634.47 Ų
H-Bond Donors12
H-Bond Acceptors41
Rotatable Bonds40
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002902.63
LogP ≤ 521.52
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1041

Analyze 1-[5-(azetidin-1-ylmethyl)-1-tert-butylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[1-tert-butyl-5-[(dimethylamino)methyl]pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[2-(2,5-dimethylpyrazol-3-yl)-4-fluoro-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(azetidin-1-ylmethyl)-1-tert-butylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[1-tert-butyl-5-[(dimethylamino)methyl]pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[2-(2,5-dimethylpyrazol-3-yl)-4-fluoro-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea?
The IUPAC name of 1-[5-(azetidin-1-ylmethyl)-1-tert-butylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[1-tert-butyl-5-[(dimethylamino)methyl]pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[2-(2,5-dimethylpyrazol-3-yl)-4-fluoro-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea (CID 158452382) is 1-[5-(azetidin-1-ylmethyl)-1-tert-butylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[1-tert-butyl-5-[(dimethylamino)methyl]pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[2-(2,5-dimethylpyrazol-3-yl)-4-fluoro-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea.
What is the SMILES notation for 1-[5-(azetidin-1-ylmethyl)-1-tert-butylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[1-tert-butyl-5-[(dimethylamino)methyl]pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[2-(2,5-dimethylpyrazol-3-yl)-4-fluoro-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea?
The canonical SMILES for 1-[5-(azetidin-1-ylmethyl)-1-tert-butylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[1-tert-butyl-5-[(dimethylamino)methyl]pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[2-(2,5-dimethylpyrazol-3-yl)-4-fluoro-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea is CC(C)(C)n1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1CN1CCC1.CC(C)c1cc(F)cc(-c2ccccc2)c1NC(=O)NS(=O)(=O)c1cc(CN(C)C)n(C(C)C)n1.CC(C)c1cc(F)cc(-c2cccnc2)c1NC(=O)NS(=O)(=O)c1cc(CN(C)C)n(C)n1.CC(C)c1cc(F)cc(-c2cncnc2)c1NC(=O)NS(=O)(=O)c1cc(CN(C)C)n(C(C)C)n1.CN(C)Cc1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1C(C)(C)C.Cc1cc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2cc(CN(C)C)n(C)n2)n(C)n1.
What is the InChIKey of 1-[5-(azetidin-1-ylmethyl)-1-tert-butylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[1-tert-butyl-5-[(dimethylamino)methyl]pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[2-(2,5-dimethylpyrazol-3-yl)-4-fluoro-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea?
The InChIKey is HEDSFWIIKDCXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN5O3S.C24H33N5O3S.C23H30FN7O3S.C23H33N5O3S.C22H30FN7O3S.C22H27FN6O3S/c1-16(2)21-12-19(26)13-22(18-10-8-7-9-11-18)24(21)27-25(32)29-35(33,34)23-14-20(15-30(5)6)31(28-23)17(3)4;1-24(2,3)29-18(15-28-11-6-12-28)14-21(26-29)33(31,32)27-23(30)25-22-19-9-4-7-16(19)13-17-8-5-10-20(17)22;1-14(2)19-7-17(24)8-20(16-10-25-13-26-11-16)22(19)27-23(32)29-35(33,34)21-9-18(12-30(5)6)31(28-21)15(3)4;1-23(2,3)28-17(14-27(4)5)13-20(25-28)32(30,31)26-22(29)24-21-18-10-6-8-15(18)12-16-9-7-11-19(16)21;1-13(2)17-9-15(23)10-18(19-8-14(3)25-30(19)7)21(17)24-22(31)27-34(32,33)20-11-16(12-28(4)5)29(6)26-20;1-14(2)18-9-16(23)10-19(15-7-6-8-24-12-15)21(18)25-22(30)27-33(31,32)20-11-17(13-28(3)4)29(5)26-20/h7-14,16-17H,15H2,1-6H3,(H2,27,29,32);13-14H,4-12,15H2,1-3H3,(H2,25,27,30);7-11,13-15H,12H2,1-6H3,(H2,27,29,32);12-13H,6-11,14H2,1-5H3,(H2,24,26,29);8-11,13H,12H2,1-7H3,(H2,24,27,31);6-12,14H,13H2,1-5H3,(H2,25,27,30).
What are the key properties of 1-[5-(azetidin-1-ylmethyl)-1-tert-butylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[1-tert-butyl-5-[(dimethylamino)methyl]pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[2-(2,5-dimethylpyrazol-3-yl)-4-fluoro-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea?
1-[5-(azetidin-1-ylmethyl)-1-tert-butylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[1-tert-butyl-5-[(dimethylamino)methyl]pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[2-(2,5-dimethylpyrazol-3-yl)-4-fluoro-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea has a molecular weight of 2902.63 g/mol, XLogP of 21.52, 40 rotatable bonds, 12 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(azetidin-1-ylmethyl)-1-tert-butylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[1-tert-butyl-5-[(dimethylamino)methyl]pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[2-(2,5-dimethylpyrazol-3-yl)-4-fluoro-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea is sourced from PubChem (CID 158452382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).