1-[6-(3-acetylphenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea;1-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea;N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-4-pyridin-2-ylpiperazine-1-carboxamide;N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide

C90H96N22O5 — CID 158731070

IUPAC1-[6-(3-acetylphenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea;1-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea;N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-4-pyridin-2-ylpiperazine-1-carboxamide;N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESCCC(C)CNC(=O)Nc1n[nH]c2cc(-c3cccc(C#N)c3)ccc12.CCC(C)CNC(=O)Nc1n[nH]c2cc(-c3cccc(C(C)=O)c3)ccc12.Cc1cc(C)cc(-c2ccc3c(NC(=O)N4CCN(c5ccccn5)CC4)n[nH]c3c2)c1.Cc1cc(C)cc(-c2ccc3c(NC(=O)N4CCN(c5ncccn5)CC4)n[nH]c3c2)c1
InChIInChI=1S/C25H26N6O.C24H25N7O.C21H24N4O2.C20H21N5O/c1-17-13-18(2)15-20(14-17)19-6-7-21-22(16-19)28-29-24(21)27-25(32)31-11-9-30(10-12-31)23-5-3-4-8-26-23;1-16-12-17(2)14-19(13-16)18-4-5-20-21(15-18)28-29-22(20)27-24(32)31-10-8-30(9-11-31)23-25-6-3-7-26-23;1-4-13(2)12-22-21(27)23-20-18-9-8-17(11-19(18)24-25-20)16-7-5-6-15(10-16)14(3)26;1-3-13(2)12-22-20(26)23-19-17-8-7-16(10-18(17)24-25-19)15-6-4-5-14(9-15)11-21/h3-8,13-16H,9-12H2,1-2H3,(H2,27,28,29,32);3-7,12-15H,8-11H2,1-2H3,(H2,27,28,29,32);5-11,13H,4,12H2,1-3H3,(H3,22,23,24,25,27);4-10,13H,3,12H2,1-2H3,(H3,22,23,24,25,26)
InChIKeyILCLEYPTCNMUAY-UHFFFAOYSA-N
MW1565.91 g/mol
LogP17.46
Rot. Bonds17

About 1-[6-(3-acetylphenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea;1-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea;N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-4-pyridin-2-ylpiperazine-1-carboxamide;N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide

1-[6-(3-acetylphenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea;1-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea;N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-4-pyridin-2-ylpiperazine-1-carboxamide;N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide (PubChem CID 158731070) has the molecular formula C90H96N22O5 and a molecular weight of 1565.91 g/mol. Its IUPAC name is 1-[6-(3-acetylphenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea;1-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea;N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-4-pyridin-2-ylpiperazine-1-carboxamide;N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name1-[6-(3-acetylphenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea;1-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea;N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-4-pyridin-2-ylpiperazine-1-carboxamide;N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
PubChem CID158731070
Molecular FormulaC90H96N22O5
Molecular Weight1565.91 g/mol
Exact Mass1564.79
IUPAC Name1-[6-(3-acetylphenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea;1-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea;N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-4-pyridin-2-ylpiperazine-1-carboxamide;N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESCCC(C)CNC(=O)Nc1n[nH]c2cc(-c3cccc(C#N)c3)ccc12.CCC(C)CNC(=O)Nc1n[nH]c2cc(-c3cccc(C(C)=O)c3)ccc12.Cc1cc(C)cc(-c2ccc3c(NC(=O)N4CCN(c5ccccn5)CC4)n[nH]c3c2)c1.Cc1cc(C)cc(-c2ccc3c(NC(=O)N4CCN(c5ncccn5)CC4)n[nH]c3c2)c1
InChIInChI=1S/C25H26N6O.C24H25N7O.C21H24N4O2.C20H21N5O/c1-17-13-18(2)15-20(14-17)19-6-7-21-22(16-19)28-29-24(21)27-25(32)31-11-9-30(10-12-31)23-5-3-4-8-26-23;1-16-12-17(2)14-19(13-16)18-4-5-20-21(15-18)28-29-22(20)27-24(32)31-10-8-30(9-11-31)23-25-6-3-7-26-23;1-4-13(2)12-22-21(27)23-20-18-9-8-17(11-19(18)24-25-20)16-7-5-6-15(10-16)14(3)26;1-3-13(2)12-22-20(26)23-19-17-8-7-16(10-18(17)24-25-19)15-6-4-5-14(9-15)11-21/h3-8,13-16H,9-12H2,1-2H3,(H2,27,28,29,32);3-7,12-15H,8-11H2,1-2H3,(H2,27,28,29,32);5-11,13H,4,12H2,1-3H3,(H3,22,23,24,25,27);4-10,13H,3,12H2,1-2H3,(H3,22,23,24,25,26)
InChIKeyILCLEYPTCNMUAY-UHFFFAOYSA-N
XLogP17.46
TPSA347.67 Ų
H-Bond Donors10
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms117
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001565.91
LogP ≤ 517.46
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1015

Analyze 1-[6-(3-acetylphenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea;1-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea;N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-4-pyridin-2-ylpiperazine-1-carboxamide;N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide with MolForge

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Related Compounds

US20240025884, Example 433
CID 170673205
US20240025884, Example 329
CID 170672771
US20240025884, Example 426
CID 170672791
US20240025884, Example 423
CID 170672808
US20240025884, Example 306
CID 170672836
US20240025884, Example 412
CID 170672873
US20240025884, Example 380
CID 170672957
US20240025884, Example 408
CID 170672975
US20240025884, Example 303
CID 170673007
US20240025884, Example 469
CID 170673032
US20240025884, Example 432
CID 170673096
US20240025884, Example 470
CID 170673188

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-acetylphenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea;1-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea;N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-4-pyridin-2-ylpiperazine-1-carboxamide;N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The IUPAC name of 1-[6-(3-acetylphenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea;1-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea;N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-4-pyridin-2-ylpiperazine-1-carboxamide;N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide (CID 158731070) is 1-[6-(3-acetylphenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea;1-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea;N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-4-pyridin-2-ylpiperazine-1-carboxamide;N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 1-[6-(3-acetylphenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea;1-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea;N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-4-pyridin-2-ylpiperazine-1-carboxamide;N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 1-[6-(3-acetylphenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea;1-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea;N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-4-pyridin-2-ylpiperazine-1-carboxamide;N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide is CCC(C)CNC(=O)Nc1n[nH]c2cc(-c3cccc(C#N)c3)ccc12.CCC(C)CNC(=O)Nc1n[nH]c2cc(-c3cccc(C(C)=O)c3)ccc12.Cc1cc(C)cc(-c2ccc3c(NC(=O)N4CCN(c5ccccn5)CC4)n[nH]c3c2)c1.Cc1cc(C)cc(-c2ccc3c(NC(=O)N4CCN(c5ncccn5)CC4)n[nH]c3c2)c1.
What is the InChIKey of 1-[6-(3-acetylphenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea;1-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea;N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-4-pyridin-2-ylpiperazine-1-carboxamide;N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The InChIKey is ILCLEYPTCNMUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O.C24H25N7O.C21H24N4O2.C20H21N5O/c1-17-13-18(2)15-20(14-17)19-6-7-21-22(16-19)28-29-24(21)27-25(32)31-11-9-30(10-12-31)23-5-3-4-8-26-23;1-16-12-17(2)14-19(13-16)18-4-5-20-21(15-18)28-29-22(20)27-24(32)31-10-8-30(9-11-31)23-25-6-3-7-26-23;1-4-13(2)12-22-21(27)23-20-18-9-8-17(11-19(18)24-25-20)16-7-5-6-15(10-16)14(3)26;1-3-13(2)12-22-20(26)23-19-17-8-7-16(10-18(17)24-25-19)15-6-4-5-14(9-15)11-21/h3-8,13-16H,9-12H2,1-2H3,(H2,27,28,29,32);3-7,12-15H,8-11H2,1-2H3,(H2,27,28,29,32);5-11,13H,4,12H2,1-3H3,(H3,22,23,24,25,27);4-10,13H,3,12H2,1-2H3,(H3,22,23,24,25,26).
What are the key properties of 1-[6-(3-acetylphenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea;1-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea;N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-4-pyridin-2-ylpiperazine-1-carboxamide;N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
1-[6-(3-acetylphenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea;1-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea;N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-4-pyridin-2-ylpiperazine-1-carboxamide;N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide has a molecular weight of 1565.91 g/mol, XLogP of 17.46, 17 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-acetylphenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea;1-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea;N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-4-pyridin-2-ylpiperazine-1-carboxamide;N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 158731070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).