1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(2-propan-2-yltriazol-4-yl)sulfonylurea;1-[1-(cyclopropylmethyl)pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-cyclopropylpyrazol-3-yl)sulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea

C113H116F2N28O18S5 — CID 160656398

About 1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(2-propan-2-yltriazol-4-yl)sulfonylurea;1-[1-(cyclopropylmethyl)pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-cyclopropylpyrazol-3-yl)sulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea

1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(2-propan-2-yltriazol-4-yl)sulfonylurea;1-[1-(cyclopropylmethyl)pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-cyclopropylpyrazol-3-yl)sulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea (PubChem CID 160656398) has the molecular formula C113H116F2N28O18S5 and a molecular weight of 2352.68 g/mol. Its IUPAC name is 1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(2-propan-2-yltriazol-4-yl)sulfonylurea;1-[1-(cyclopropylmethyl)pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-cyclopropylpyrazol-3-yl)sulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea.

Molecular Properties

• Compound Name: 1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(2-propan-2-yltriazol-4-yl)sulfonylurea;1-[1-(cyclopropylmethyl)pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-cyclopropylpyrazol-3-yl)sulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea
• PubChem CID: 160656398
• Molecular Formula: C113H116F2N28O18S5
• Molecular Weight: 2352.68 g/mol
• Exact Mass: 2350.76
• IUPAC Name: 1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(2-propan-2-yltriazol-4-yl)sulfonylurea;1-[1-(cyclopropylmethyl)pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-cyclopropylpyrazol-3-yl)sulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea
• SMILES: CC(C)(C)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(C#N)c3)ccc3c2CCC3)n1.CC(C)n1ncc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(C#N)c3)ccc3c2CCC3)n1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(CC4CC4)n2)CCC3)ccn1.O=C(Nc1c(-c2ccnc(OC(F)F)c2)ccc2c1CCC2)NS(=O)(=O)c1ccn(C2CC2)n1.O=C(Nc1c(-c2ccnc(OC3CC3)c2)ccc2c1CCC2)NS(=O)(=O)c1ccn(C2CC2)n1
• InChI: InChI=1S/C24H25N5O4S.C23H24N6O3S.C23H25N5O4S.C22H21F2N5O4S.C21H21N7O3S/c30-24(28-34(31,32)22-11-13-29(27-22)17-5-6-17)26-23-19-3-1-2-15(19)4-9-20(23)16-10-12-25-21(14-16)33-18-7-8-18;1-23(2,3)29-12-10-20(27-29)33(31,32)28-22(30)26-21-18-6-4-5-15(18)7-8-19(21)16-9-11-25-17(13-16)14-24;1-32-20-13-17(9-11-24-20)19-8-7-16-3-2-4-18(16)22(19)25-23(29)27-33(30,31)21-10-12-28(26-21)14-15-5-6-15;23-21(24)33-18-12-14(8-10-25-18)17-7-4-13-2-1-3-16(13)20(17)26-22(30)28-34(31,32)19-9-11-29(27-19)15-5-6-15;1-13(2)28-24-12-19(26-28)32(30,31)27-21(29)25-20-17-5-3-4-14(17)6-7-18(20)15-8-9-23-16(10-15)11-22/h4,9-14,17-18H,1-3,5-8H2,(H2,26,28,30);7-13H,4-6H2,1-3H3,(H2,26,28,30);7-13,15H,2-6,14H2,1H3,(H2,25,27,29);4,7-12,15,21H,1-3,5-6H2,(H2,26,28,30);6-10,12-13H,3-5H2,1-2H3,(H2,25,27,29)
• InChIKey: RLCHWFLAUHRNLE-UHFFFAOYSA-N
• XLogP: 17.43
• TPSA: 618.06 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 36
• Rotatable Bonds: 30
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2352.68
LogP ≤ 5	17.43
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(2-propan-2-yltriazol-4-yl)sulfonylurea;1-[1-(cyclopropylmethyl)pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-cyclopropylpyrazol-3-yl)sulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea?

The IUPAC name of 1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(2-propan-2-yltriazol-4-yl)sulfonylurea;1-[1-(cyclopropylmethyl)pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-cyclopropylpyrazol-3-yl)sulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea (CID 160656398) is 1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(2-propan-2-yltriazol-4-yl)sulfonylurea;1-[1-(cyclopropylmethyl)pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-cyclopropylpyrazol-3-yl)sulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea.

What is the SMILES notation for 1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(2-propan-2-yltriazol-4-yl)sulfonylurea;1-[1-(cyclopropylmethyl)pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-cyclopropylpyrazol-3-yl)sulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea?

The canonical SMILES for 1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(2-propan-2-yltriazol-4-yl)sulfonylurea;1-[1-(cyclopropylmethyl)pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-cyclopropylpyrazol-3-yl)sulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea is CC(C)(C)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(C#N)c3)ccc3c2CCC3)n1.CC(C)n1ncc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(C#N)c3)ccc3c2CCC3)n1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(CC4CC4)n2)CCC3)ccn1.O=C(Nc1c(-c2ccnc(OC(F)F)c2)ccc2c1CCC2)NS(=O)(=O)c1ccn(C2CC2)n1.O=C(Nc1c(-c2ccnc(OC3CC3)c2)ccc2c1CCC2)NS(=O)(=O)c1ccn(C2CC2)n1.

What is the InChIKey of 1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(2-propan-2-yltriazol-4-yl)sulfonylurea;1-[1-(cyclopropylmethyl)pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-cyclopropylpyrazol-3-yl)sulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea?

The InChIKey is RLCHWFLAUHRNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4S.C23H24N6O3S.C23H25N5O4S.C22H21F2N5O4S.C21H21N7O3S/c30-24(28-34(31,32)22-11-13-29(27-22)17-5-6-17)26-23-19-3-1-2-15(19)4-9-20(23)16-10-12-25-21(14-16)33-18-7-8-18;1-23(2,3)29-12-10-20(27-29)33(31,32)28-22(30)26-21-18-6-4-5-15(18)7-8-19(21)16-9-11-25-17(13-16)14-24;1-32-20-13-17(9-11-24-20)19-8-7-16-3-2-4-18(16)22(19)25-23(29)27-33(30,31)21-10-12-28(26-21)14-15-5-6-15;23-21(24)33-18-12-14(8-10-25-18)17-7-4-13-2-1-3-16(13)20(17)26-22(30)28-34(31,32)19-9-11-29(27-19)15-5-6-15;1-13(2)28-24-12-19(26-28)32(30,31)27-21(29)25-20-17-5-3-4-14(17)6-7-18(20)15-8-9-23-16(10-15)11-22/h4,9-14,17-18H,1-3,5-8H2,(H2,26,28,30);7-13H,4-6H2,1-3H3,(H2,26,28,30);7-13,15H,2-6,14H2,1H3,(H2,25,27,29);4,7-12,15,21H,1-3,5-6H2,(H2,26,28,30);6-10,12-13H,3-5H2,1-2H3,(H2,25,27,29).

What are the key properties of 1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(2-propan-2-yltriazol-4-yl)sulfonylurea;1-[1-(cyclopropylmethyl)pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-cyclopropylpyrazol-3-yl)sulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea?

1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(2-propan-2-yltriazol-4-yl)sulfonylurea;1-[1-(cyclopropylmethyl)pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-cyclopropylpyrazol-3-yl)sulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea has a molecular weight of 2352.68 g/mol, XLogP of 17.43, 30 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(2-propan-2-yltriazol-4-yl)sulfonylurea;1-[1-(cyclopropylmethyl)pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-cyclopropylpyrazol-3-yl)sulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea is sourced from PubChem (CID 160656398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).