1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(1-propan-2-yl-1,2,4-triazol-3-yl)sulfonyl]urea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-yltriazol-4-yl)sulfonylurea

C85H82F2N26O12S4 — CID 159271883

IUPAC1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(1-propan-2-yl-1,2,4-triazol-3-yl)sulfonyl]urea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-yltriazol-4-yl)sulfonylurea
SMILESCC(C)n1cc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(C#N)c3)ccc3c2CCC3)nn1.CC(C)n1cnc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(C#N)c3)ccc3c2CCC3)c1.CC(C)n1cnc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(C#N)c3)ccc3c2CCC3)n1.N#Cc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2cnn(CC(F)F)c2)CCC3)ccn1
InChIInChI=1S/C22H22N6O3S.C21H18F2N6O3S.2C21H21N7O3S/c1-14(2)28-12-20(25-13-28)32(30,31)27-22(29)26-21-18-5-3-4-15(18)6-7-19(21)16-8-9-24-17(10-16)11-23;22-19(23)12-29-11-16(10-26-29)33(31,32)28-21(30)27-20-17-3-1-2-13(17)4-5-18(20)14-6-7-25-15(8-14)9-24;1-13(2)28-12-24-21(26-28)32(30,31)27-20(29)25-19-17-5-3-4-14(17)6-7-18(19)15-8-9-23-16(10-15)11-22;1-13(2)28-12-19(25-27-28)32(30,31)26-21(29)24-20-17-5-3-4-14(17)6-7-18(20)15-8-9-23-16(10-15)11-22/h6-10,12-14H,3-5H2,1-2H3,(H2,26,27,29);4-8,10-11,19H,1-3,12H2,(H2,27,28,30);6-10,12-13H,3-5H2,1-2H3,(H2,25,27,29);6-10,12-13H,3-5H2,1-2H3,(H2,24,26,29)
InChIKeyKXUWZKJMUXUBSI-UHFFFAOYSA-N
MW1826.02 g/mol
LogP12.06
Rot. Bonds21

About 1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(1-propan-2-yl-1,2,4-triazol-3-yl)sulfonyl]urea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-yltriazol-4-yl)sulfonylurea

1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(1-propan-2-yl-1,2,4-triazol-3-yl)sulfonyl]urea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-yltriazol-4-yl)sulfonylurea (PubChem CID 159271883) has the molecular formula C85H82F2N26O12S4 and a molecular weight of 1826.02 g/mol. Its IUPAC name is 1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(1-propan-2-yl-1,2,4-triazol-3-yl)sulfonyl]urea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-yltriazol-4-yl)sulfonylurea.

Molecular Properties

Compound Name1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(1-propan-2-yl-1,2,4-triazol-3-yl)sulfonyl]urea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-yltriazol-4-yl)sulfonylurea
PubChem CID159271883
Molecular FormulaC85H82F2N26O12S4
Molecular Weight1826.02 g/mol
Exact Mass1824.55
IUPAC Name1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(1-propan-2-yl-1,2,4-triazol-3-yl)sulfonyl]urea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-yltriazol-4-yl)sulfonylurea
SMILESCC(C)n1cc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(C#N)c3)ccc3c2CCC3)nn1.CC(C)n1cnc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(C#N)c3)ccc3c2CCC3)c1.CC(C)n1cnc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(C#N)c3)ccc3c2CCC3)n1.N#Cc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2cnn(CC(F)F)c2)CCC3)ccn1
InChIInChI=1S/C22H22N6O3S.C21H18F2N6O3S.2C21H21N7O3S/c1-14(2)28-12-20(25-13-28)32(30,31)27-22(29)26-21-18-5-3-4-15(18)6-7-19(21)16-8-9-24-17(10-16)11-23;22-19(23)12-29-11-16(10-26-29)33(31,32)28-21(30)27-20-17-3-1-2-13(17)4-5-18(20)14-6-7-25-15(8-14)9-24;1-13(2)28-12-24-21(26-28)32(30,31)27-20(29)25-19-17-5-3-4-14(17)6-7-18(19)15-8-9-23-16(10-15)11-22;1-13(2)28-12-19(25-27-28)32(30,31)26-21(29)24-20-17-5-3-4-14(17)6-7-18(20)15-8-9-23-16(10-15)11-22/h6-10,12-14H,3-5H2,1-2H3,(H2,26,27,29);4-8,10-11,19H,1-3,12H2,(H2,27,28,30);6-10,12-13H,3-5H2,1-2H3,(H2,25,27,29);6-10,12-13H,3-5H2,1-2H3,(H2,24,26,29)
InChIKeyKXUWZKJMUXUBSI-UHFFFAOYSA-N
XLogP12.06
TPSA544.86 Ų
H-Bond Donors8
H-Bond Acceptors30
Rotatable Bonds21
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001826.02
LogP ≤ 512.06
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1030

Analyze 1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(1-propan-2-yl-1,2,4-triazol-3-yl)sulfonyl]urea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-yltriazol-4-yl)sulfonylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(1-propan-2-yl-1,2,4-triazol-3-yl)sulfonyl]urea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-yltriazol-4-yl)sulfonylurea?
The IUPAC name of 1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(1-propan-2-yl-1,2,4-triazol-3-yl)sulfonyl]urea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-yltriazol-4-yl)sulfonylurea (CID 159271883) is 1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(1-propan-2-yl-1,2,4-triazol-3-yl)sulfonyl]urea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-yltriazol-4-yl)sulfonylurea.
What is the SMILES notation for 1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(1-propan-2-yl-1,2,4-triazol-3-yl)sulfonyl]urea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-yltriazol-4-yl)sulfonylurea?
The canonical SMILES for 1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(1-propan-2-yl-1,2,4-triazol-3-yl)sulfonyl]urea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-yltriazol-4-yl)sulfonylurea is CC(C)n1cc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(C#N)c3)ccc3c2CCC3)nn1.CC(C)n1cnc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(C#N)c3)ccc3c2CCC3)c1.CC(C)n1cnc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(C#N)c3)ccc3c2CCC3)n1.N#Cc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2cnn(CC(F)F)c2)CCC3)ccn1.
What is the InChIKey of 1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(1-propan-2-yl-1,2,4-triazol-3-yl)sulfonyl]urea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-yltriazol-4-yl)sulfonylurea?
The InChIKey is KXUWZKJMUXUBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3S.C21H18F2N6O3S.2C21H21N7O3S/c1-14(2)28-12-20(25-13-28)32(30,31)27-22(29)26-21-18-5-3-4-15(18)6-7-19(21)16-8-9-24-17(10-16)11-23;22-19(23)12-29-11-16(10-26-29)33(31,32)28-21(30)27-20-17-3-1-2-13(17)4-5-18(20)14-6-7-25-15(8-14)9-24;1-13(2)28-12-24-21(26-28)32(30,31)27-20(29)25-19-17-5-3-4-14(17)6-7-18(19)15-8-9-23-16(10-15)11-22;1-13(2)28-12-19(25-27-28)32(30,31)26-21(29)24-20-17-5-3-4-14(17)6-7-18(20)15-8-9-23-16(10-15)11-22/h6-10,12-14H,3-5H2,1-2H3,(H2,26,27,29);4-8,10-11,19H,1-3,12H2,(H2,27,28,30);6-10,12-13H,3-5H2,1-2H3,(H2,25,27,29);6-10,12-13H,3-5H2,1-2H3,(H2,24,26,29).
What are the key properties of 1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(1-propan-2-yl-1,2,4-triazol-3-yl)sulfonyl]urea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-yltriazol-4-yl)sulfonylurea?
1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(1-propan-2-yl-1,2,4-triazol-3-yl)sulfonyl]urea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-yltriazol-4-yl)sulfonylurea has a molecular weight of 1826.02 g/mol, XLogP of 12.06, 21 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(1-propan-2-yl-1,2,4-triazol-3-yl)sulfonyl]urea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-yltriazol-4-yl)sulfonylurea is sourced from PubChem (CID 159271883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).