1-[5-(azetidin-1-ylmethyl)-1-ethylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-(azetidin-1-ylmethyl)-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-(1-ethyl-5-propylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea

C132H180F2N30O18S6 — CID 158450052

About 1-[5-(azetidin-1-ylmethyl)-1-ethylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-(azetidin-1-ylmethyl)-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-(1-ethyl-5-propylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea

1-[5-(azetidin-1-ylmethyl)-1-ethylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-(azetidin-1-ylmethyl)-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-(1-ethyl-5-propylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea (PubChem CID 158450052) has the molecular formula C132H180F2N30O18S6 and a molecular weight of 2705.48 g/mol. Its IUPAC name is 1-[5-(azetidin-1-ylmethyl)-1-ethylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-(azetidin-1-ylmethyl)-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-(1-ethyl-5-propylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea.

Molecular Properties

• Compound Name: 1-[5-(azetidin-1-ylmethyl)-1-ethylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-(azetidin-1-ylmethyl)-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-(1-ethyl-5-propylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
• PubChem CID: 158450052
• Molecular Formula: C132H180F2N30O18S6
• Molecular Weight: 2705.48 g/mol
• Exact Mass: 2703.24
• IUPAC Name: 1-[5-(azetidin-1-ylmethyl)-1-ethylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-(azetidin-1-ylmethyl)-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-(1-ethyl-5-propylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
• SMILES: CC(C)c1cc(F)cc(-c2cccnc2)c1NC(=O)NS(=O)(=O)c1cc(CN(C)C)n(C(C)C)n1.CC(C)n1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1CN1CCC1.CCCc1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1CC.CCn1nc(S(=O)(=O)NC(=O)Nc2c(C(C)C)cc(F)cc2C(C)C)cc1CN(C)C.CCn1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1CN(C)C.CCn1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1CN1CCC1
• InChI: InChI=1S/C24H31FN6O3S.C23H31N5O3S.C22H29N5O3S.C21H32FN5O3S.C21H29N5O3S.C21H28N4O3S/c1-15(2)20-10-18(25)11-21(17-8-7-9-26-13-17)23(20)27-24(32)29-35(33,34)22-12-19(14-30(5)6)31(28-22)16(3)4;1-15(2)28-18(14-27-10-5-11-27)13-21(25-28)32(30,31)26-23(29)24-22-19-8-3-6-16(19)12-17-7-4-9-20(17)22;1-2-27-17(14-26-10-5-11-26)13-20(24-27)31(29,30)25-22(28)23-21-18-8-3-6-15(18)12-16-7-4-9-19(16)21;1-8-27-16(12-26(6)7)11-19(24-27)31(29,30)25-21(28)23-20-17(13(2)3)9-15(22)10-18(20)14(4)5;1-4-26-16(13-25(2)3)12-19(23-26)30(28,29)24-21(27)22-20-17-9-5-7-14(17)11-15-8-6-10-18(15)20;1-3-7-16-13-19(23-25(16)4-2)29(27,28)24-21(26)22-20-17-10-5-8-14(17)12-15-9-6-11-18(15)20/h7-13,15-16H,14H2,1-6H3,(H2,27,29,32);12-13,15H,3-11,14H2,1-2H3,(H2,24,26,29);12-13H,2-11,14H2,1H3,(H2,23,25,28);9-11,13-14H,8,12H2,1-7H3,(H2,23,25,28);11-12H,4-10,13H2,1-3H3,(H2,22,24,27);12-13H,3-11H2,1-2H3,(H2,22,24,26)
• InChIKey: HDWFVZLVQWMSFV-UHFFFAOYSA-N
• XLogP: 19.77
• TPSA: 587.63 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 36
• Rotatable Bonds: 40
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2705.48
LogP ≤ 5	19.77
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 1-[5-(azetidin-1-ylmethyl)-1-ethylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-(azetidin-1-ylmethyl)-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-(1-ethyl-5-propylpyrazol-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-ethylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-(azetidin-1-ylmethyl)-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-(1-ethyl-5-propylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea (CID 158450052) is 1-[5-(azetidin-1-ylmethyl)-1-ethylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-(azetidin-1-ylmethyl)-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-(1-ethyl-5-propylpyrazol-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-ethylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-(azetidin-1-ylmethyl)-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-(1-ethyl-5-propylpyrazol-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-ethylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-(azetidin-1-ylmethyl)-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-(1-ethyl-5-propylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea is CC(C)c1cc(F)cc(-c2cccnc2)c1NC(=O)NS(=O)(=O)c1cc(CN(C)C)n(C(C)C)n1.CC(C)n1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1CN1CCC1.CCCc1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1CC.CCn1nc(S(=O)(=O)NC(=O)Nc2c(C(C)C)cc(F)cc2C(C)C)cc1CN(C)C.CCn1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1CN(C)C.CCn1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1CN1CCC1.

What is the InChIKey of 1-[5-(azetidin-1-ylmethyl)-1-ethylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-(azetidin-1-ylmethyl)-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-(1-ethyl-5-propylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?

The InChIKey is HDWFVZLVQWMSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN6O3S.C23H31N5O3S.C22H29N5O3S.C21H32FN5O3S.C21H29N5O3S.C21H28N4O3S/c1-15(2)20-10-18(25)11-21(17-8-7-9-26-13-17)23(20)27-24(32)29-35(33,34)22-12-19(14-30(5)6)31(28-22)16(3)4;1-15(2)28-18(14-27-10-5-11-27)13-21(25-28)32(30,31)26-23(29)24-22-19-8-3-6-16(19)12-17-7-4-9-20(17)22;1-2-27-17(14-26-10-5-11-26)13-20(24-27)31(29,30)25-22(28)23-21-18-8-3-6-15(18)12-16-7-4-9-19(16)21;1-8-27-16(12-26(6)7)11-19(24-27)31(29,30)25-21(28)23-20-17(13(2)3)9-15(22)10-18(20)14(4)5;1-4-26-16(13-25(2)3)12-19(23-26)30(28,29)24-21(27)22-20-17-9-5-7-14(17)11-15-8-6-10-18(15)20;1-3-7-16-13-19(23-25(16)4-2)29(27,28)24-21(26)22-20-17-10-5-8-14(17)12-15-9-6-11-18(15)20/h7-13,15-16H,14H2,1-6H3,(H2,27,29,32);12-13,15H,3-11,14H2,1-2H3,(H2,24,26,29);12-13H,2-11,14H2,1H3,(H2,23,25,28);9-11,13-14H,8,12H2,1-7H3,(H2,23,25,28);11-12H,4-10,13H2,1-3H3,(H2,22,24,27);12-13H,3-11H2,1-2H3,(H2,22,24,26).

What are the key properties of 1-[5-(azetidin-1-ylmethyl)-1-ethylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-(azetidin-1-ylmethyl)-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-(1-ethyl-5-propylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?

1-[5-(azetidin-1-ylmethyl)-1-ethylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-(azetidin-1-ylmethyl)-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-(1-ethyl-5-propylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea has a molecular weight of 2705.48 g/mol, XLogP of 19.77, 40 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(azetidin-1-ylmethyl)-1-ethylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-(azetidin-1-ylmethyl)-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-(1-ethyl-5-propylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea is sourced from PubChem (CID 158450052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).