1-N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide

C26H33N5O2 — CID 50943435

IUPAC1-N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
SMILESCCN(CC)C(=O)C1CCCN(C(=O)Nc2n[nH]c3cc(-c4cc(C)cc(C)c4)ccc23)C1
InChIInChI=1S/C26H33N5O2/c1-5-30(6-2)25(32)20-8-7-11-31(16-20)26(33)27-24-22-10-9-19(15-23(22)28-29-24)21-13-17(3)12-18(4)14-21/h9-10,12-15,20H,5-8,11,16H2,1-4H3,(H2,27,28,29,33)
InChIKeyQLPRGIAUNKUHEL-UHFFFAOYSA-N
MW447.58 g/mol
LogP4.96
Rot. Bonds5

About 1-N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide

1-N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide (PubChem CID 50943435) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is 1-N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
PubChem CID50943435
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC Name1-N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
SMILESCCN(CC)C(=O)C1CCCN(C(=O)Nc2n[nH]c3cc(-c4cc(C)cc(C)c4)ccc23)C1
InChIInChI=1S/C26H33N5O2/c1-5-30(6-2)25(32)20-8-7-11-31(16-20)26(33)27-24-22-10-9-19(15-23(22)28-29-24)21-13-17(3)12-18(4)14-21/h9-10,12-15,20H,5-8,11,16H2,1-4H3,(H2,27,28,29,33)
InChIKeyQLPRGIAUNKUHEL-UHFFFAOYSA-N
XLogP4.96
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(4-methylphenyl)-1H-indazol-3-yl]piperidine-1-carboxamide
CID 69064183
3-methyl-N-[6-(4-propan-2-ylphenyl)-1H-indazol-3-yl]piperidine-1-carboxamide
CID 58135508
(3S)-1-N-[4-[[(3S)-3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]phenyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 40620948
N-[6-(3-methylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide
CID 69065843
N-[6-(4-methylphenyl)-1H-indazol-3-yl]piperazine-1-carboxamide
CID 69063807
1-N-[3-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]phenyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 3574463
4-hydroxy-N-[6-(4-methoxyphenyl)-1H-indazol-3-yl]piperidine-1-carboxamide
CID 69061015
2-cyclopentyl-N-[6-(4-methylphenyl)-1H-indazol-3-yl]acetamide
CID 69061785
1-N-(4-chlorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 3697126
3-N,3-N-diethyl-1-N-(2-methyl-1-benzofuran-5-yl)piperidine-1,3-dicarboxamide
CID 72859203
1-N-(2,4-difluorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 42695569
N-(6-phenyl-1H-indazol-3-yl)cyclohexanecarboxamide
CID 69063558

Frequently Asked Questions

What is the IUPAC name of 1-N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide (CID 50943435) is 1-N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide is CCN(CC)C(=O)C1CCCN(C(=O)Nc2n[nH]c3cc(-c4cc(C)cc(C)c4)ccc23)C1.
What is the InChIKey of 1-N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide?
The InChIKey is QLPRGIAUNKUHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-5-30(6-2)25(32)20-8-7-11-31(16-20)26(33)27-24-22-10-9-19(15-23(22)28-29-24)21-13-17(3)12-18(4)14-21/h9-10,12-15,20H,5-8,11,16H2,1-4H3,(H2,27,28,29,33).
What are the key properties of 1-N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide?
1-N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide has a molecular weight of 447.58 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 50943435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).