1-[[6-(dimethylamino)-4-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-(ethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-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-[[6-(methylamino)-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-(4-methylspiro[5,7-dihydropyrazolo[1,5-a]pyrimidine-6,1'-cyclopropane]-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(4,6,6-trimethyl-5,7-dihydropyrazolo[1,5-a]pyrimidin-3-yl)sulfonyl]urea

C107H138N26O17S5 — CID 158278459

About 1-[[6-(dimethylamino)-4-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-(ethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-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-[[6-(methylamino)-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-(4-methylspiro[5,7-dihydropyrazolo[1,5-a]pyrimidine-6,1'-cyclopropane]-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(4,6,6-trimethyl-5,7-dihydropyrazolo[1,5-a]pyrimidin-3-yl)sulfonyl]urea

1-[[6-(dimethylamino)-4-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-(ethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-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-[[6-(methylamino)-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-(4-methylspiro[5,7-dihydropyrazolo[1,5-a]pyrimidine-6,1'-cyclopropane]-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(4,6,6-trimethyl-5,7-dihydropyrazolo[1,5-a]pyrimidin-3-yl)sulfonyl]urea (PubChem CID 158278459) has the molecular formula C107H138N26O17S5 and a molecular weight of 2220.78 g/mol. Its IUPAC name is 1-[[6-(dimethylamino)-4-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-(ethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-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-[[6-(methylamino)-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-(4-methylspiro[5,7-dihydropyrazolo[1,5-a]pyrimidine-6,1'-cyclopropane]-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(4,6,6-trimethyl-5,7-dihydropyrazolo[1,5-a]pyrimidin-3-yl)sulfonyl]urea.

Molecular Properties

• Compound Name: 1-[[6-(dimethylamino)-4-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-(ethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-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-[[6-(methylamino)-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-(4-methylspiro[5,7-dihydropyrazolo[1,5-a]pyrimidine-6,1'-cyclopropane]-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(4,6,6-trimethyl-5,7-dihydropyrazolo[1,5-a]pyrimidin-3-yl)sulfonyl]urea
• PubChem CID: 158278459
• Molecular Formula: C107H138N26O17S5
• Molecular Weight: 2220.78 g/mol
• Exact Mass: 2218.93
• IUPAC Name: 1-[[6-(dimethylamino)-4-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-(ethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-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-[[6-(methylamino)-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-(4-methylspiro[5,7-dihydropyrazolo[1,5-a]pyrimidine-6,1'-cyclopropane]-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(4,6,6-trimethyl-5,7-dihydropyrazolo[1,5-a]pyrimidin-3-yl)sulfonyl]urea
• SMILES: CCNC1COc2c(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)cnn2C1.CN1CC(C)(C)Cn2ncc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)c21.CN1CC(N(C)C)Cn2ncc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)c21.CN1CC2(CC2)Cn2ncc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)c21.CNC1COc2c(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)cnn2C1
• InChI: InChI=1S/C22H30N6O3S.C22H27N5O3S.C22H29N5O3S.C21H27N5O4S.C20H25N5O4S/c1-26(2)16-12-27(3)21-19(11-23-28(21)13-16)32(30,31)25-22(29)24-20-17-8-4-6-14(17)10-15-7-5-9-18(15)20;1-26-12-22(8-9-22)13-27-20(26)18(11-23-27)31(29,30)25-21(28)24-19-16-6-2-4-14(16)10-15-5-3-7-17(15)19;1-22(2)12-26(3)20-18(11-23-27(20)13-22)31(29,30)25-21(28)24-19-16-8-4-6-14(16)10-15-7-5-9-17(15)19;1-2-22-15-11-26-20(30-12-15)18(10-23-26)31(28,29)25-21(27)24-19-16-7-3-5-13(16)9-14-6-4-8-17(14)19;1-21-14-10-25-19(29-11-14)17(9-22-25)30(27,28)24-20(26)23-18-15-6-2-4-12(15)8-13-5-3-7-16(13)18/h10-11,16H,4-9,12-13H2,1-3H3,(H2,24,25,29);10-11H,2-9,12-13H2,1H3,(H2,24,25,28);10-11H,4-9,12-13H2,1-3H3,(H2,24,25,28);9-10,15,22H,2-8,11-12H2,1H3,(H2,24,25,27);8-9,14,21H,2-7,10-11H2,1H3,(H2,23,24,26)
• InChIKey: GJXHGNYSJFRKKY-UHFFFAOYSA-N
• XLogP: 10.29
• TPSA: 520.93 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 33
• Rotatable Bonds: 19
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2220.78
LogP ≤ 5	10.29
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(dimethylamino)-4-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-(ethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-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-[[6-(methylamino)-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-(4-methylspiro[5,7-dihydropyrazolo[1,5-a]pyrimidine-6,1'-cyclopropane]-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(4,6,6-trimethyl-5,7-dihydropyrazolo[1,5-a]pyrimidin-3-yl)sulfonyl]urea?

The IUPAC name of 1-[[6-(dimethylamino)-4-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-(ethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-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-[[6-(methylamino)-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-(4-methylspiro[5,7-dihydropyrazolo[1,5-a]pyrimidine-6,1'-cyclopropane]-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(4,6,6-trimethyl-5,7-dihydropyrazolo[1,5-a]pyrimidin-3-yl)sulfonyl]urea (CID 158278459) is 1-[[6-(dimethylamino)-4-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-(ethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-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-[[6-(methylamino)-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-(4-methylspiro[5,7-dihydropyrazolo[1,5-a]pyrimidine-6,1'-cyclopropane]-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(4,6,6-trimethyl-5,7-dihydropyrazolo[1,5-a]pyrimidin-3-yl)sulfonyl]urea.

What is the SMILES notation for 1-[[6-(dimethylamino)-4-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-(ethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-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-[[6-(methylamino)-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-(4-methylspiro[5,7-dihydropyrazolo[1,5-a]pyrimidine-6,1'-cyclopropane]-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(4,6,6-trimethyl-5,7-dihydropyrazolo[1,5-a]pyrimidin-3-yl)sulfonyl]urea?

The canonical SMILES for 1-[[6-(dimethylamino)-4-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-(ethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-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-[[6-(methylamino)-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-(4-methylspiro[5,7-dihydropyrazolo[1,5-a]pyrimidine-6,1'-cyclopropane]-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(4,6,6-trimethyl-5,7-dihydropyrazolo[1,5-a]pyrimidin-3-yl)sulfonyl]urea is CCNC1COc2c(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)cnn2C1.CN1CC(C)(C)Cn2ncc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)c21.CN1CC(N(C)C)Cn2ncc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)c21.CN1CC2(CC2)Cn2ncc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)c21.CNC1COc2c(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)cnn2C1.

What is the InChIKey of 1-[[6-(dimethylamino)-4-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-(ethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-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-[[6-(methylamino)-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-(4-methylspiro[5,7-dihydropyrazolo[1,5-a]pyrimidine-6,1'-cyclopropane]-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(4,6,6-trimethyl-5,7-dihydropyrazolo[1,5-a]pyrimidin-3-yl)sulfonyl]urea?

The InChIKey is GJXHGNYSJFRKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O3S.C22H27N5O3S.C22H29N5O3S.C21H27N5O4S.C20H25N5O4S/c1-26(2)16-12-27(3)21-19(11-23-28(21)13-16)32(30,31)25-22(29)24-20-17-8-4-6-14(17)10-15-7-5-9-18(15)20;1-26-12-22(8-9-22)13-27-20(26)18(11-23-27)31(29,30)25-21(28)24-19-16-6-2-4-14(16)10-15-5-3-7-17(15)19;1-22(2)12-26(3)20-18(11-23-27(20)13-22)31(29,30)25-21(28)24-19-16-8-4-6-14(16)10-15-7-5-9-17(15)19;1-2-22-15-11-26-20(30-12-15)18(10-23-26)31(28,29)25-21(27)24-19-16-7-3-5-13(16)9-14-6-4-8-17(14)19;1-21-14-10-25-19(29-11-14)17(9-22-25)30(27,28)24-20(26)23-18-15-6-2-4-12(15)8-13-5-3-7-16(13)18/h10-11,16H,4-9,12-13H2,1-3H3,(H2,24,25,29);10-11H,2-9,12-13H2,1H3,(H2,24,25,28);10-11H,4-9,12-13H2,1-3H3,(H2,24,25,28);9-10,15,22H,2-8,11-12H2,1H3,(H2,24,25,27);8-9,14,21H,2-7,10-11H2,1H3,(H2,23,24,26).

What are the key properties of 1-[[6-(dimethylamino)-4-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-(ethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-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-[[6-(methylamino)-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-(4-methylspiro[5,7-dihydropyrazolo[1,5-a]pyrimidine-6,1'-cyclopropane]-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(4,6,6-trimethyl-5,7-dihydropyrazolo[1,5-a]pyrimidin-3-yl)sulfonyl]urea?

1-[[6-(dimethylamino)-4-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-(ethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-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-[[6-(methylamino)-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-(4-methylspiro[5,7-dihydropyrazolo[1,5-a]pyrimidine-6,1'-cyclopropane]-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(4,6,6-trimethyl-5,7-dihydropyrazolo[1,5-a]pyrimidin-3-yl)sulfonyl]urea has a molecular weight of 2220.78 g/mol, XLogP of 10.29, 19 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[6-(dimethylamino)-4-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-(ethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-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-[[6-(methylamino)-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-(4-methylspiro[5,7-dihydropyrazolo[1,5-a]pyrimidine-6,1'-cyclopropane]-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(4,6,6-trimethyl-5,7-dihydropyrazolo[1,5-a]pyrimidin-3-yl)sulfonyl]urea is sourced from PubChem (CID 158278459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).