4-N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

C25H35N5O2 — CID 42160279

IUPAC4-N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)C2CCN(C(=O)N(C)C)CC2)cc1
InChIInChI=1S/C25H35N5O2/c1-17-6-8-19(9-7-17)30-22-15-25(2,3)14-21(20(22)16-26-30)27-23(31)18-10-12-29(13-11-18)24(32)28(4)5/h6-9,16,18,21H,10-15H2,1-5H3,(H,27,31)/t21-/m1/s1
InChIKeyWRVXSFKGMYWKIO-OAQYLSRUSA-N
MW437.59 g/mol
LogP3.70
Rot. Bonds3

About 4-N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

4-N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (PubChem CID 42160279) has the molecular formula C25H35N5O2 and a molecular weight of 437.59 g/mol. Its IUPAC name is 4-N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
PubChem CID42160279
Molecular FormulaC25H35N5O2
Molecular Weight437.59 g/mol
Exact Mass437.28
IUPAC Name4-N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)C2CCN(C(=O)N(C)C)CC2)cc1
InChIInChI=1S/C25H35N5O2/c1-17-6-8-19(9-7-17)30-22-15-25(2,3)14-21(20(22)16-26-30)27-23(31)18-10-12-29(13-11-18)24(32)28(4)5/h6-9,16,18,21H,10-15H2,1-5H3,(H,27,31)/t21-/m1/s1
InChIKeyWRVXSFKGMYWKIO-OAQYLSRUSA-N
XLogP3.70
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide with MolForge

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Related Compounds

1-acetyl-N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]piperidine-4-carboxamide
CID 26397040
1-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-propan-2-ylurea
CID 97138121
1-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-propan-2-ylurea
CID 72900997
N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(methylamino)acetamide
CID 72935886
(E)-N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4-methylpent-2-enamide
CID 42595969
N-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]pyrrolidine-1-sulfonamide
CID 97145897
2-(1,3-benzodioxol-5-yl)-N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]acetamide
CID 25460962
N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 42195775
N-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(5-methylpyrazol-1-yl)propanamide
CID 42287055
N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(1-methylpyrazol-4-yl)propanamide
CID 24794171
2-(4-acetylphenoxy)-N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]acetamide
CID 42454747
N-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-(methoxymethyl)furan-2-carboxamide
CID 42382856

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (CID 42160279) is 4-N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is Cc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)C2CCN(C(=O)N(C)C)CC2)cc1.
What is the InChIKey of 4-N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The InChIKey is WRVXSFKGMYWKIO-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H35N5O2/c1-17-6-8-19(9-7-17)30-22-15-25(2,3)14-21(20(22)16-26-30)27-23(31)18-10-12-29(13-11-18)24(32)28(4)5/h6-9,16,18,21H,10-15H2,1-5H3,(H,27,31)/t21-/m1/s1.
What are the key properties of 4-N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
4-N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide has a molecular weight of 437.59 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 42160279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).