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

C85H101N17O6 — CID 157181977

IUPAC1-[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
SMILESCC(C)OCCCNC(=O)Nc1n[nH]c2cc(-c3cccc(C#N)c3)ccc12.CCC(C)CNC(=O)Nc1n[nH]c2cc(-c3cc(C)cc(C)c3)ccc12.CCOCCCNC(=O)Nc1n[nH]c2cc(-c3cc(C)cc(C)c3)ccc12.Cc1cc(C)cc(-c2ccc3c(NC(=O)N4CCC(C)CC4)n[nH]c3c2)c1
InChIInChI=1S/C22H26N4O.C21H23N5O2.C21H26N4O2.C21H26N4O/c1-14-6-8-26(9-7-14)22(27)23-21-19-5-4-17(13-20(19)24-25-21)18-11-15(2)10-16(3)12-18;1-14(2)28-10-4-9-23-21(27)24-20-18-8-7-17(12-19(18)25-26-20)16-6-3-5-15(11-16)13-22;1-4-27-9-5-8-22-21(26)23-20-18-7-6-16(13-19(18)24-25-20)17-11-14(2)10-15(3)12-17;1-5-13(2)12-22-21(26)23-20-18-7-6-16(11-19(18)24-25-20)17-9-14(3)8-15(4)10-17/h4-5,10-14H,6-9H2,1-3H3,(H2,23,24,25,27);3,5-8,11-12,14H,4,9-10H2,1-2H3,(H3,23,24,25,26,27);6-7,10-13H,4-5,8-9H2,1-3H3,(H3,22,23,24,25,26);6-11,13H,5,12H2,1-4H3,(H3,22,23,24,25,26)
InChIKeyAORBWERHTGAVGQ-UHFFFAOYSA-N
MW1456.86 g/mol
LogP18.56
Rot. Bonds21

About 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

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 (PubChem CID 157181977) has the molecular formula C85H101N17O6 and a molecular weight of 1456.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID157181977
Molecular FormulaC85H101N17O6
Molecular Weight1456.86 g/mol
Exact Mass1455.81
IUPAC Name1-[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
SMILESCC(C)OCCCNC(=O)Nc1n[nH]c2cc(-c3cccc(C#N)c3)ccc12.CCC(C)CNC(=O)Nc1n[nH]c2cc(-c3cc(C)cc(C)c3)ccc12.CCOCCCNC(=O)Nc1n[nH]c2cc(-c3cc(C)cc(C)c3)ccc12.Cc1cc(C)cc(-c2ccc3c(NC(=O)N4CCC(C)CC4)n[nH]c3c2)c1
InChIInChI=1S/C22H26N4O.C21H23N5O2.C21H26N4O2.C21H26N4O/c1-14-6-8-26(9-7-14)22(27)23-21-19-5-4-17(13-20(19)24-25-21)18-11-15(2)10-16(3)12-18;1-14(2)28-10-4-9-23-21(27)24-20-18-8-7-17(12-19(18)25-26-20)16-6-3-5-15(11-16)13-22;1-4-27-9-5-8-22-21(26)23-20-18-7-6-16(13-19(18)24-25-20)17-11-14(2)10-15(3)12-17;1-5-13(2)12-22-21(26)23-20-18-7-6-16(11-19(18)24-25-20)17-9-14(3)8-15(4)10-17/h4-5,10-14H,6-9H2,1-3H3,(H2,23,24,25,27);3,5-8,11-12,14H,4,9-10H2,1-2H3,(H3,23,24,25,26,27);6-7,10-13H,4-5,8-9H2,1-3H3,(H3,22,23,24,25,26);6-11,13H,5,12H2,1-4H3,(H3,22,23,24,25,26)
InChIKeyAORBWERHTGAVGQ-UHFFFAOYSA-N
XLogP18.56
TPSA312.70 Ų
H-Bond Donors11
H-Bond Acceptors11
Rotatable Bonds21
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001456.86
LogP ≤ 518.56
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-hydroxypiperidine-1-carboxamide
CID 58135465
N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methylpiperidine-1-carboxamide
CID 58135467
1-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-(3-propan-2-yloxypropyl)urea
CID 58135502
N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-methylpiperidine-1-carboxamide
CID 58135505
1-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-(3-ethoxypropyl)urea
CID 58135510
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-[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-(3,5-dimethylphenyl)-1H-indazol-3-yl]-3,5-dimethylpiperidine-1-carboxamide;N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-4-hydroxypiperidine-1-carboxamide;N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-3-methylpiperidine-1-carboxamide;1-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-3-(2-pyridin-2-ylethyl)urea
CID 157478685
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
1-[4-[3-amino-7-(morpholin-4-ylmethyl)-1H-indazol-4-yl]phenyl]-3-(3-fluorophenyl)urea;1-[4-[3-amino-7-(morpholin-4-ylmethyl)-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea
CID 161500925

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)OCCCNC(=O)Nc1n[nH]c2cc(-c3cccc(C#N)c3)ccc12.CCC(C)CNC(=O)Nc1n[nH]c2cc(-c3cc(C)cc(C)c3)ccc12.CCOCCCNC(=O)Nc1n[nH]c2cc(-c3cc(C)cc(C)c3)ccc12.Cc1cc(C)cc(-c2ccc3c(NC(=O)N4CCC(C)CC4)n[nH]c3c2)c1.
What is the InChIKey of 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?
The InChIKey is AORBWERHTGAVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O.C21H23N5O2.C21H26N4O2.C21H26N4O/c1-14-6-8-26(9-7-14)22(27)23-21-19-5-4-17(13-20(19)24-25-21)18-11-15(2)10-16(3)12-18;1-14(2)28-10-4-9-23-21(27)24-20-18-8-7-17(12-19(18)25-26-20)16-6-3-5-15(11-16)13-22;1-4-27-9-5-8-22-21(26)23-20-18-7-6-16(13-19(18)24-25-20)17-11-14(2)10-15(3)12-17;1-5-13(2)12-22-21(26)23-20-18-7-6-16(11-19(18)24-25-20)17-9-14(3)8-15(4)10-17/h4-5,10-14H,6-9H2,1-3H3,(H2,23,24,25,27);3,5-8,11-12,14H,4,9-10H2,1-2H3,(H3,23,24,25,26,27);6-7,10-13H,4-5,8-9H2,1-3H3,(H3,22,23,24,25,26);6-11,13H,5,12H2,1-4H3,(H3,22,23,24,25,26).
What are the key properties of 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?
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 has a molecular weight of 1456.86 g/mol, XLogP of 18.56, 21 rotatable bonds, 11 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157181977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).