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-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonylurea;1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[2-(dimethylamino)propan-2-yl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea

C141H183F3N34O18S6 — CID 158801101

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-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonylurea;1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[2-(dimethylamino)propan-2-yl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)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(-c2ccnc(C#N)c2)c1NC(=O)NS(=O)(=O)c1cc(CN(C)C)n(C)n1.CCn1nc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(C#N)c3)cc(F)cc2C(C)C)cc1CN(C)C.CN(C)C(C)(C)c1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1C.CN(C)Cc1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1C(C)(C)C
InChIInChI=1S/C25H32FN5O3S.C24H28FN7O3S.C24H33N5O3S.C23H26FN7O3S.C23H33N5O3S.C22H31N5O3S/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;1-6-32-19(14-31(4)5)12-22(29-32)36(34,35)30-24(33)28-23-20(15(2)3)10-17(25)11-21(23)16-7-8-27-18(9-16)13-26;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)19-9-16(24)10-20(15-6-7-26-17(8-15)12-25)22(19)27-23(32)29-35(33,34)21-11-18(13-30(3)4)31(5)28-21;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;1-22(2,26(3)4)18-13-19(24-27(18)5)31(29,30)25-21(28)23-20-16-10-6-8-14(16)12-15-9-7-11-17(15)20/h7-14,16-17H,15H2,1-6H3,(H2,27,29,32);7-12,15H,6,14H2,1-5H3,(H2,28,30,33);13-14H,4-12,15H2,1-3H3,(H2,25,27,30);6-11,14H,13H2,1-5H3,(H2,27,29,32);12-13H,6-11,14H2,1-5H3,(H2,24,26,29);12-13H,6-11H2,1-5H3,(H2,23,25,28)
InChIKeyITMMVGCEZFSLOJ-UHFFFAOYSA-N
MW2891.63 g/mol
LogP21.05
Rot. Bonds38

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-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonylurea;1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[2-(dimethylamino)propan-2-yl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)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-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonylurea;1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[2-(dimethylamino)propan-2-yl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea (PubChem CID 158801101) has the molecular formula C141H183F3N34O18S6 and a molecular weight of 2891.63 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-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonylurea;1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[2-(dimethylamino)propan-2-yl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)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-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonylurea;1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[2-(dimethylamino)propan-2-yl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
PubChem CID158801101
Molecular FormulaC141H183F3N34O18S6
Molecular Weight2891.63 g/mol
Exact Mass2889.27
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-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonylurea;1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[2-(dimethylamino)propan-2-yl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)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(-c2ccnc(C#N)c2)c1NC(=O)NS(=O)(=O)c1cc(CN(C)C)n(C)n1.CCn1nc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(C#N)c3)cc(F)cc2C(C)C)cc1CN(C)C.CN(C)C(C)(C)c1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1C.CN(C)Cc1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1C(C)(C)C
InChIInChI=1S/C25H32FN5O3S.C24H28FN7O3S.C24H33N5O3S.C23H26FN7O3S.C23H33N5O3S.C22H31N5O3S/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;1-6-32-19(14-31(4)5)12-22(29-32)36(34,35)30-24(33)28-23-20(15(2)3)10-17(25)11-21(23)16-7-8-27-18(9-16)13-26;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)19-9-16(24)10-20(15-6-7-26-17(8-15)12-25)22(19)27-23(32)29-35(33,34)21-11-18(13-30(3)4)31(5)28-21;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;1-22(2,26(3)4)18-13-19(24-27(18)5)31(29,30)25-21(28)23-20-16-10-6-8-14(16)12-15-9-7-11-17(15)20/h7-14,16-17H,15H2,1-6H3,(H2,27,29,32);7-12,15H,6,14H2,1-5H3,(H2,28,30,33);13-14H,4-12,15H2,1-3H3,(H2,25,27,30);6-11,14H,13H2,1-5H3,(H2,27,29,32);12-13H,6-11,14H2,1-5H3,(H2,24,26,29);12-13H,6-11H2,1-5H3,(H2,23,25,28)
InChIKeyITMMVGCEZFSLOJ-UHFFFAOYSA-N
XLogP21.05
TPSA651.34 Ų
H-Bond Donors12
H-Bond Acceptors40
Rotatable Bonds38
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002891.63
LogP ≤ 521.05
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1040

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-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonylurea;1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[2-(dimethylamino)propan-2-yl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)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-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonylurea;1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[2-(dimethylamino)propan-2-yl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)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-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonylurea;1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[2-(dimethylamino)propan-2-yl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea (CID 158801101) 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-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonylurea;1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[2-(dimethylamino)propan-2-yl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)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-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonylurea;1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[2-(dimethylamino)propan-2-yl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)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-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonylurea;1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[2-(dimethylamino)propan-2-yl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)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(-c2ccnc(C#N)c2)c1NC(=O)NS(=O)(=O)c1cc(CN(C)C)n(C)n1.CCn1nc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(C#N)c3)cc(F)cc2C(C)C)cc1CN(C)C.CN(C)C(C)(C)c1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1C.CN(C)Cc1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1C(C)(C)C.
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-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonylurea;1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[2-(dimethylamino)propan-2-yl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
The InChIKey is ITMMVGCEZFSLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN5O3S.C24H28FN7O3S.C24H33N5O3S.C23H26FN7O3S.C23H33N5O3S.C22H31N5O3S/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;1-6-32-19(14-31(4)5)12-22(29-32)36(34,35)30-24(33)28-23-20(15(2)3)10-17(25)11-21(23)16-7-8-27-18(9-16)13-26;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)19-9-16(24)10-20(15-6-7-26-17(8-15)12-25)22(19)27-23(32)29-35(33,34)21-11-18(13-30(3)4)31(5)28-21;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;1-22(2,26(3)4)18-13-19(24-27(18)5)31(29,30)25-21(28)23-20-16-10-6-8-14(16)12-15-9-7-11-17(15)20/h7-14,16-17H,15H2,1-6H3,(H2,27,29,32);7-12,15H,6,14H2,1-5H3,(H2,28,30,33);13-14H,4-12,15H2,1-3H3,(H2,25,27,30);6-11,14H,13H2,1-5H3,(H2,27,29,32);12-13H,6-11,14H2,1-5H3,(H2,24,26,29);12-13H,6-11H2,1-5H3,(H2,23,25,28).
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-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonylurea;1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[2-(dimethylamino)propan-2-yl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)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-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonylurea;1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[2-(dimethylamino)propan-2-yl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea has a molecular weight of 2891.63 g/mol, XLogP of 21.05, 38 rotatable bonds, 12 hydrogen bond donors, and 40 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-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonylurea;1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[2-(dimethylamino)propan-2-yl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea is sourced from PubChem (CID 158801101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).