4-benzyl-N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]piperazine-1-carboxamide;N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide;1-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-(2-methylpropyl)urea;1-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea

C92H94F2N20O4 — CID 159164147

IUPAC4-benzyl-N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]piperazine-1-carboxamide;N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide;1-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-(2-methylpropyl)urea;1-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea
SMILESCC(C)CNC(=O)Nc1n[nH]c2cc(-c3cccc(C#N)c3)ccc12.CCC(C)CNC(=O)Nc1n[nH]c2cc(-c3cc(F)ccc3F)ccc12.Cc1cc(C)cc(-c2ccc3c(NC(=O)N4CCN(Cc5ccccc5)CC4)n[nH]c3c2)c1.Cc1cccc(N2CCN(C(=O)Nc3n[nH]c4cc(-c5cccc(C#N)c5)ccc34)CC2C)c1
InChIInChI=1S/C27H26N6O.C27H29N5O.C19H20F2N4O.C19H19N5O/c1-18-5-3-8-23(13-18)33-12-11-32(17-19(33)2)27(34)29-26-24-10-9-22(15-25(24)30-31-26)21-7-4-6-20(14-21)16-28;1-19-14-20(2)16-23(15-19)22-8-9-24-25(17-22)29-30-26(24)28-27(33)32-12-10-31(11-13-32)18-21-6-4-3-5-7-21;1-3-11(2)10-22-19(26)23-18-14-6-4-12(8-17(14)24-25-18)15-9-13(20)5-7-16(15)21;1-12(2)11-21-19(25)22-18-16-7-6-15(9-17(16)23-24-18)14-5-3-4-13(8-14)10-20/h3-10,13-15,19H,11-12,17H2,1-2H3,(H2,29,30,31,34);3-9,14-17H,10-13,18H2,1-2H3,(H2,28,29,30,33);4-9,11H,3,10H2,1-2H3,(H3,22,23,24,25,26);3-9,12H,11H2,1-2H3,(H3,21,22,23,24,25)
InChIKeyKKWAMTCBHAGNDK-UHFFFAOYSA-N
MW1581.90 g/mol
LogP18.90
Rot. Bonds16

About 4-benzyl-N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]piperazine-1-carboxamide;N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide;1-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-(2-methylpropyl)urea;1-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea

4-benzyl-N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]piperazine-1-carboxamide;N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide;1-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-(2-methylpropyl)urea;1-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea (PubChem CID 159164147) has the molecular formula C92H94F2N20O4 and a molecular weight of 1581.90 g/mol. Its IUPAC name is 4-benzyl-N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]piperazine-1-carboxamide;N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide;1-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-(2-methylpropyl)urea;1-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea.

Molecular Properties

Compound Name4-benzyl-N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]piperazine-1-carboxamide;N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide;1-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-(2-methylpropyl)urea;1-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea
PubChem CID159164147
Molecular FormulaC92H94F2N20O4
Molecular Weight1581.90 g/mol
Exact Mass1580.77
IUPAC Name4-benzyl-N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]piperazine-1-carboxamide;N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide;1-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-(2-methylpropyl)urea;1-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea
SMILESCC(C)CNC(=O)Nc1n[nH]c2cc(-c3cccc(C#N)c3)ccc12.CCC(C)CNC(=O)Nc1n[nH]c2cc(-c3cc(F)ccc3F)ccc12.Cc1cc(C)cc(-c2ccc3c(NC(=O)N4CCN(Cc5ccccc5)CC4)n[nH]c3c2)c1.Cc1cccc(N2CCN(C(=O)Nc3n[nH]c4cc(-c5cccc(C#N)c5)ccc34)CC2C)c1
InChIInChI=1S/C27H26N6O.C27H29N5O.C19H20F2N4O.C19H19N5O/c1-18-5-3-8-23(13-18)33-12-11-32(17-19(33)2)27(34)29-26-24-10-9-22(15-25(24)30-31-26)21-7-4-6-20(14-21)16-28;1-19-14-20(2)16-23(15-19)22-8-9-24-25(17-22)29-30-26(24)28-27(33)32-12-10-31(11-13-32)18-21-6-4-3-5-7-21;1-3-11(2)10-22-19(26)23-18-14-6-4-12(8-17(14)24-25-18)15-9-13(20)5-7-16(15)21;1-12(2)11-21-19(25)22-18-16-7-6-15(9-17(16)23-24-18)14-5-3-4-13(8-14)10-20/h3-10,13-15,19H,11-12,17H2,1-2H3,(H2,29,30,31,34);3-9,14-17H,10-13,18H2,1-2H3,(H2,28,29,30,33);4-9,11H,3,10H2,1-2H3,(H3,22,23,24,25,26);3-9,12H,11H2,1-2H3,(H3,21,22,23,24,25)
InChIKeyKKWAMTCBHAGNDK-UHFFFAOYSA-N
XLogP18.90
TPSA315.72 Ų
H-Bond Donors10
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001581.90
LogP ≤ 518.90
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1012

Analyze 4-benzyl-N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]piperazine-1-carboxamide;N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide;1-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-(2-methylpropyl)urea;1-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea with MolForge

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Related Compounds

N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide
CID 50943508
N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 58135490
6,7-difluoro-5-phenyl-1H-indazol-3-amine;1-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)-3-[3-(4-methylpiperazin-1-yl)propyl]urea
CID 67011751
N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methylpiperazine-1-carboxamide
CID 70795330
N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-(2,5-dimethylphenyl)piperazine-1-carboxamide;1-(cyclopropylmethyl)-3-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]urea;1-[6-(3,4-dimethylphenyl)-1H-indazol-3-yl]-3-[(1-ethylpyrrolidin-2-yl)methyl]urea;1-[6-(2-methylphenyl)-1H-indazol-3-yl]-3-propylurea
CID 123720657
1-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-(3-propan-2-yloxypropyl)urea;1-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-3-(3-ethoxypropyl)urea;1-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea;N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-4-methylpiperidine-1-carboxamide
CID 157181977
1-[3-(dimethylamino)propyl]-3-[6-(4-methylphenyl)-1H-indazol-3-yl]urea;1-[6-(4-ethylphenyl)-1H-indazol-3-yl]-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 157276200
N-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)piperidine-1-carboxamide;N-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)pyrrolidine-1-carboxamide
CID 160446440

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]piperazine-1-carboxamide;N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide;1-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-(2-methylpropyl)urea;1-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea?
The IUPAC name of 4-benzyl-N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]piperazine-1-carboxamide;N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide;1-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-(2-methylpropyl)urea;1-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea (CID 159164147) is 4-benzyl-N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]piperazine-1-carboxamide;N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide;1-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-(2-methylpropyl)urea;1-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea.
What is the SMILES notation for 4-benzyl-N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]piperazine-1-carboxamide;N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide;1-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-(2-methylpropyl)urea;1-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea?
The canonical SMILES for 4-benzyl-N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]piperazine-1-carboxamide;N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide;1-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-(2-methylpropyl)urea;1-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea is CC(C)CNC(=O)Nc1n[nH]c2cc(-c3cccc(C#N)c3)ccc12.CCC(C)CNC(=O)Nc1n[nH]c2cc(-c3cc(F)ccc3F)ccc12.Cc1cc(C)cc(-c2ccc3c(NC(=O)N4CCN(Cc5ccccc5)CC4)n[nH]c3c2)c1.Cc1cccc(N2CCN(C(=O)Nc3n[nH]c4cc(-c5cccc(C#N)c5)ccc34)CC2C)c1.
What is the InChIKey of 4-benzyl-N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]piperazine-1-carboxamide;N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide;1-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-(2-methylpropyl)urea;1-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea?
The InChIKey is KKWAMTCBHAGNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O.C27H29N5O.C19H20F2N4O.C19H19N5O/c1-18-5-3-8-23(13-18)33-12-11-32(17-19(33)2)27(34)29-26-24-10-9-22(15-25(24)30-31-26)21-7-4-6-20(14-21)16-28;1-19-14-20(2)16-23(15-19)22-8-9-24-25(17-22)29-30-26(24)28-27(33)32-12-10-31(11-13-32)18-21-6-4-3-5-7-21;1-3-11(2)10-22-19(26)23-18-14-6-4-12(8-17(14)24-25-18)15-9-13(20)5-7-16(15)21;1-12(2)11-21-19(25)22-18-16-7-6-15(9-17(16)23-24-18)14-5-3-4-13(8-14)10-20/h3-10,13-15,19H,11-12,17H2,1-2H3,(H2,29,30,31,34);3-9,14-17H,10-13,18H2,1-2H3,(H2,28,29,30,33);4-9,11H,3,10H2,1-2H3,(H3,22,23,24,25,26);3-9,12H,11H2,1-2H3,(H3,21,22,23,24,25).
What are the key properties of 4-benzyl-N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]piperazine-1-carboxamide;N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide;1-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-(2-methylpropyl)urea;1-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea?
4-benzyl-N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]piperazine-1-carboxamide;N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide;1-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-(2-methylpropyl)urea;1-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea has a molecular weight of 1581.90 g/mol, XLogP of 18.90, 16 rotatable bonds, 10 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]piperazine-1-carboxamide;N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide;1-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-(2-methylpropyl)urea;1-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea is sourced from PubChem (CID 159164147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).