bis(3-[5-[cyclobutyl(piperidin-4-yl)methyl]-1H-imidazol-2-yl]-1-propan-2-ylindazole);oxalic acid

C48H64N10O4 — CID 174693197

IUPACbis(3-[5-[cyclobutyl(piperidin-4-yl)methyl]-1H-imidazol-2-yl]-1-propan-2-ylindazole);oxalic acid
SMILESCC(C)n1nc(-c2ncc(C(C3CCC3)C3CCNCC3)[nH]2)c2ccccc21.CC(C)n1nc(-c2ncc(C(C3CCC3)C3CCNCC3)[nH]2)c2ccccc21.O=C(O)C(=O)O
InChIInChI=1S/2C23H31N5.C2H2O4/c2*1-15(2)28-20-9-4-3-8-18(20)22(27-28)23-25-14-19(26-23)21(16-6-5-7-16)17-10-12-24-13-11-17;3-1(4)2(5)6/h2*3-4,8-9,14-17,21,24H,5-7,10-13H2,1-2H3,(H,25,26);(H,3,4)(H,5,6)
InChIKeyMUDLSSBHMWPUNU-UHFFFAOYSA-N
MW845.11 g/mol
LogP8.94
Rot. Bonds10

About bis(3-[5-[cyclobutyl(piperidin-4-yl)methyl]-1H-imidazol-2-yl]-1-propan-2-ylindazole);oxalic acid

bis(3-[5-[cyclobutyl(piperidin-4-yl)methyl]-1H-imidazol-2-yl]-1-propan-2-ylindazole);oxalic acid (PubChem CID 174693197) has the molecular formula C48H64N10O4 and a molecular weight of 845.11 g/mol. Its IUPAC name is bis(3-[5-[cyclobutyl(piperidin-4-yl)methyl]-1H-imidazol-2-yl]-1-propan-2-ylindazole);oxalic acid.

Molecular Properties

Compound Namebis(3-[5-[cyclobutyl(piperidin-4-yl)methyl]-1H-imidazol-2-yl]-1-propan-2-ylindazole);oxalic acid
PubChem CID174693197
Molecular FormulaC48H64N10O4
Molecular Weight845.11 g/mol
Exact Mass844.51
IUPAC Namebis(3-[5-[cyclobutyl(piperidin-4-yl)methyl]-1H-imidazol-2-yl]-1-propan-2-ylindazole);oxalic acid
SMILESCC(C)n1nc(-c2ncc(C(C3CCC3)C3CCNCC3)[nH]2)c2ccccc21.CC(C)n1nc(-c2ncc(C(C3CCC3)C3CCNCC3)[nH]2)c2ccccc21.O=C(O)C(=O)O
InChIInChI=1S/2C23H31N5.C2H2O4/c2*1-15(2)28-20-9-4-3-8-18(20)22(27-28)23-25-14-19(26-23)21(16-6-5-7-16)17-10-12-24-13-11-17;3-1(4)2(5)6/h2*3-4,8-9,14-17,21,24H,5-7,10-13H2,1-2H3,(H,25,26);(H,3,4)(H,5,6)
InChIKeyMUDLSSBHMWPUNU-UHFFFAOYSA-N
XLogP8.94
TPSA191.66 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500845.11
LogP ≤ 58.94
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze bis(3-[5-[cyclobutyl(piperidin-4-yl)methyl]-1H-imidazol-2-yl]-1-propan-2-ylindazole);oxalic acid with MolForge

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

Launch Full Analysis

Related Compounds

N-(piperidin-4-ylmethyl)-1-propan-2-ylindazole-3-carboxamide;vanadium
CID 159657353
3-[5-[1-(oxan-4-ylmethyl)piperidin-4-yl]-1H-imidazol-2-yl]-1-propan-2-ylindazole
CID 141414783
oxalic acid;2-(2-piperidin-1-ylethyl)-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole
CID 71536748
2-methyl-4-[4-[5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-2-ol;oxalic acid
CID 171344196
oxalic acid;N-[1-(oxan-4-yl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 171354359
N-[6-(3-hydroxypropyl)piperidin-3-yl]-1-propan-2-ylindazole-3-carboxamide
CID 67269772
N-[(3S,5S)-5-(methanesulfonamidomethyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide;oxalic acid
CID 159837138
1-propan-2-ylindazole-3-carbaldehyde
CID 87676732
N-[2-(4-aminopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide;oxalic acid
CID 86751129
N-cycloheptyl-2-(3-methylindazol-1-yl)propanamide
CID 22509795
(E)-but-2-enedioic acid;1-propan-2-ylindazole-3-carboxylic acid
CID 162310578
4-bromo-2-[5-(1-propan-2-ylindazol-3-yl)-1H-pyrazol-3-yl]phenol
CID 135524274

Frequently Asked Questions

What is the IUPAC name of bis(3-[5-[cyclobutyl(piperidin-4-yl)methyl]-1H-imidazol-2-yl]-1-propan-2-ylindazole);oxalic acid?
The IUPAC name of bis(3-[5-[cyclobutyl(piperidin-4-yl)methyl]-1H-imidazol-2-yl]-1-propan-2-ylindazole);oxalic acid (CID 174693197) is bis(3-[5-[cyclobutyl(piperidin-4-yl)methyl]-1H-imidazol-2-yl]-1-propan-2-ylindazole);oxalic acid.
What is the SMILES notation for bis(3-[5-[cyclobutyl(piperidin-4-yl)methyl]-1H-imidazol-2-yl]-1-propan-2-ylindazole);oxalic acid?
The canonical SMILES for bis(3-[5-[cyclobutyl(piperidin-4-yl)methyl]-1H-imidazol-2-yl]-1-propan-2-ylindazole);oxalic acid is CC(C)n1nc(-c2ncc(C(C3CCC3)C3CCNCC3)[nH]2)c2ccccc21.CC(C)n1nc(-c2ncc(C(C3CCC3)C3CCNCC3)[nH]2)c2ccccc21.O=C(O)C(=O)O.
What is the InChIKey of bis(3-[5-[cyclobutyl(piperidin-4-yl)methyl]-1H-imidazol-2-yl]-1-propan-2-ylindazole);oxalic acid?
The InChIKey is MUDLSSBHMWPUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H31N5.C2H2O4/c2*1-15(2)28-20-9-4-3-8-18(20)22(27-28)23-25-14-19(26-23)21(16-6-5-7-16)17-10-12-24-13-11-17;3-1(4)2(5)6/h2*3-4,8-9,14-17,21,24H,5-7,10-13H2,1-2H3,(H,25,26);(H,3,4)(H,5,6).
What are the key properties of bis(3-[5-[cyclobutyl(piperidin-4-yl)methyl]-1H-imidazol-2-yl]-1-propan-2-ylindazole);oxalic acid?
bis(3-[5-[cyclobutyl(piperidin-4-yl)methyl]-1H-imidazol-2-yl]-1-propan-2-ylindazole);oxalic acid has a molecular weight of 845.11 g/mol, XLogP of 8.94, 10 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-[5-[cyclobutyl(piperidin-4-yl)methyl]-1H-imidazol-2-yl]-1-propan-2-ylindazole);oxalic acid is sourced from PubChem (CID 174693197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).