1-(3,4-dichlorophenyl)-N-[2-[3-(2-fluoropropan-2-yl)phenyl]ethyl]indazole-4-carboxamide;1-(3,4-difluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide

C110H80Cl2F16N16O5S — CID 157189626

IUPAC1-(3,4-dichlorophenyl)-N-[2-[3-(2-fluoropropan-2-yl)phenyl]ethyl]indazole-4-carboxamide;1-(3,4-difluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
SMILESCC(C)(F)c1cccc(CCNC(=O)c2cccc3c2cnn3-c2ccc(Cl)c(Cl)c2)c1.O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccc(F)c(F)c1.O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccc(F)cc1.O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1cccs1.O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccncc1
InChIInChI=1S/C25H22Cl2FN3O.C22H14F5N3O.C22H15F4N3O.C21H15F3N4O.C20H14F3N3OS/c1-25(2,28)17-6-3-5-16(13-17)11-12-29-24(32)19-7-4-8-23-20(19)15-30-31(23)18-9-10-21(26)22(27)14-18;23-18-8-7-15(10-19(18)24)30-20-6-2-5-16(17(20)12-29-30)21(31)28-11-13-3-1-4-14(9-13)22(25,26)27;23-16-7-9-17(10-8-16)29-20-6-2-5-18(19(20)13-28-29)21(30)27-12-14-3-1-4-15(11-14)22(24,25)26;22-21(23,24)15-4-1-3-14(11-15)12-26-20(29)17-5-2-6-19-18(17)13-27-28(19)16-7-9-25-10-8-16;21-20(22,23)14-5-1-4-13(10-14)11-24-19(27)15-6-2-7-17-16(15)12-25-26(17)18-8-3-9-28-18/h3-10,13-15H,11-12H2,1-2H3,(H,29,32);1-10,12H,11H2,(H,28,31);1-11,13H,12H2,(H,27,30);1-11,13H,12H2,(H,26,29);1-10,12H,11H2,(H,24,27)
InChIKeyAPNUCXBMFRBZHF-UHFFFAOYSA-N
MW2112.90 g/mol
LogP26.28
Rot. Bonds22

About 1-(3,4-dichlorophenyl)-N-[2-[3-(2-fluoropropan-2-yl)phenyl]ethyl]indazole-4-carboxamide;1-(3,4-difluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide

1-(3,4-dichlorophenyl)-N-[2-[3-(2-fluoropropan-2-yl)phenyl]ethyl]indazole-4-carboxamide;1-(3,4-difluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide (PubChem CID 157189626) has the molecular formula C110H80Cl2F16N16O5S and a molecular weight of 2112.90 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-[2-[3-(2-fluoropropan-2-yl)phenyl]ethyl]indazole-4-carboxamide;1-(3,4-difluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-[2-[3-(2-fluoropropan-2-yl)phenyl]ethyl]indazole-4-carboxamide;1-(3,4-difluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
PubChem CID157189626
Molecular FormulaC110H80Cl2F16N16O5S
Molecular Weight2112.90 g/mol
Exact Mass2110.53
IUPAC Name1-(3,4-dichlorophenyl)-N-[2-[3-(2-fluoropropan-2-yl)phenyl]ethyl]indazole-4-carboxamide;1-(3,4-difluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
SMILESCC(C)(F)c1cccc(CCNC(=O)c2cccc3c2cnn3-c2ccc(Cl)c(Cl)c2)c1.O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccc(F)c(F)c1.O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccc(F)cc1.O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1cccs1.O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccncc1
InChIInChI=1S/C25H22Cl2FN3O.C22H14F5N3O.C22H15F4N3O.C21H15F3N4O.C20H14F3N3OS/c1-25(2,28)17-6-3-5-16(13-17)11-12-29-24(32)19-7-4-8-23-20(19)15-30-31(23)18-9-10-21(26)22(27)14-18;23-18-8-7-15(10-19(18)24)30-20-6-2-5-16(17(20)12-29-30)21(31)28-11-13-3-1-4-14(9-13)22(25,26)27;23-16-7-9-17(10-8-16)29-20-6-2-5-18(19(20)13-28-29)21(30)27-12-14-3-1-4-15(11-14)22(24,25)26;22-21(23,24)15-4-1-3-14(11-15)12-26-20(29)17-5-2-6-19-18(17)13-27-28(19)16-7-9-25-10-8-16;21-20(22,23)14-5-1-4-13(10-14)11-24-19(27)15-6-2-7-17-16(15)12-25-26(17)18-8-3-9-28-18/h3-10,13-15H,11-12H2,1-2H3,(H,29,32);1-10,12H,11H2,(H,28,31);1-11,13H,12H2,(H,27,30);1-11,13H,12H2,(H,26,29);1-10,12H,11H2,(H,24,27)
InChIKeyAPNUCXBMFRBZHF-UHFFFAOYSA-N
XLogP26.28
TPSA247.49 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds22
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002112.90
LogP ≤ 526.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Analyze 1-(3,4-dichlorophenyl)-N-[2-[3-(2-fluoropropan-2-yl)phenyl]ethyl]indazole-4-carboxamide;1-(3,4-difluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-[2-[3-(2-fluoropropan-2-yl)phenyl]ethyl]indazole-4-carboxamide;1-(3,4-difluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-[2-[3-(2-fluoropropan-2-yl)phenyl]ethyl]indazole-4-carboxamide;1-(3,4-difluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide (CID 157189626) is 1-(3,4-dichlorophenyl)-N-[2-[3-(2-fluoropropan-2-yl)phenyl]ethyl]indazole-4-carboxamide;1-(3,4-difluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-[2-[3-(2-fluoropropan-2-yl)phenyl]ethyl]indazole-4-carboxamide;1-(3,4-difluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-[2-[3-(2-fluoropropan-2-yl)phenyl]ethyl]indazole-4-carboxamide;1-(3,4-difluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide is CC(C)(F)c1cccc(CCNC(=O)c2cccc3c2cnn3-c2ccc(Cl)c(Cl)c2)c1.O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccc(F)c(F)c1.O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccc(F)cc1.O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1cccs1.O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccncc1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-[2-[3-(2-fluoropropan-2-yl)phenyl]ethyl]indazole-4-carboxamide;1-(3,4-difluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide?
The InChIKey is APNUCXBMFRBZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2FN3O.C22H14F5N3O.C22H15F4N3O.C21H15F3N4O.C20H14F3N3OS/c1-25(2,28)17-6-3-5-16(13-17)11-12-29-24(32)19-7-4-8-23-20(19)15-30-31(23)18-9-10-21(26)22(27)14-18;23-18-8-7-15(10-19(18)24)30-20-6-2-5-16(17(20)12-29-30)21(31)28-11-13-3-1-4-14(9-13)22(25,26)27;23-16-7-9-17(10-8-16)29-20-6-2-5-18(19(20)13-28-29)21(30)27-12-14-3-1-4-15(11-14)22(24,25)26;22-21(23,24)15-4-1-3-14(11-15)12-26-20(29)17-5-2-6-19-18(17)13-27-28(19)16-7-9-25-10-8-16;21-20(22,23)14-5-1-4-13(10-14)11-24-19(27)15-6-2-7-17-16(15)12-25-26(17)18-8-3-9-28-18/h3-10,13-15H,11-12H2,1-2H3,(H,29,32);1-10,12H,11H2,(H,28,31);1-11,13H,12H2,(H,27,30);1-11,13H,12H2,(H,26,29);1-10,12H,11H2,(H,24,27).
What are the key properties of 1-(3,4-dichlorophenyl)-N-[2-[3-(2-fluoropropan-2-yl)phenyl]ethyl]indazole-4-carboxamide;1-(3,4-difluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide?
1-(3,4-dichlorophenyl)-N-[2-[3-(2-fluoropropan-2-yl)phenyl]ethyl]indazole-4-carboxamide;1-(3,4-difluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide has a molecular weight of 2112.90 g/mol, XLogP of 26.28, 22 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-[2-[3-(2-fluoropropan-2-yl)phenyl]ethyl]indazole-4-carboxamide;1-(3,4-difluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide is sourced from PubChem (CID 157189626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).