N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

C24H28N4O2 — CID 42244376

IUPACN-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)c2c(C)cc(C)[nH]c2=O)cc1
InChIInChI=1S/C24H28N4O2/c1-14-6-8-17(9-7-14)28-20-12-24(4,5)11-19(18(20)13-25-28)27-23(30)21-15(2)10-16(3)26-22(21)29/h6-10,13,19H,11-12H2,1-5H3,(H,26,29)(H,27,30)/t19-/m1/s1
InChIKeyYEJGJNFOLGZXBF-LJQANCHMSA-N
MW404.51 g/mol
LogP3.93
Rot. Bonds3

About N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 42244376) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID42244376
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)c2c(C)cc(C)[nH]c2=O)cc1
InChIInChI=1S/C24H28N4O2/c1-14-6-8-17(9-7-14)28-20-12-24(4,5)11-19(18(20)13-25-28)27-23(30)21-15(2)10-16(3)26-22(21)29/h6-10,13,19H,11-12H2,1-5H3,(H,26,29)(H,27,30)/t19-/m1/s1
InChIKeyYEJGJNFOLGZXBF-LJQANCHMSA-N
XLogP3.93
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-ethyl-1H-pyrazole-3-carboxamide
CID 97124401
N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(methylamino)acetamide
CID 72935886
N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4-oxo-3H-phthalazine-1-carboxamide
CID 29184538
N-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-(methoxymethyl)furan-2-carboxamide
CID 42382856
N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-5-methyl-1H-pyrazole-3-carboxamide
CID 24793131
1-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-propan-2-ylurea
CID 72900997
1-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-propan-2-ylurea
CID 97138121
5-ethyl-N-[(4R)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-1H-pyrazole-3-carboxamide
CID 97122154
(E)-N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4-methylpent-2-enamide
CID 42595969
N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 26317169
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

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (CID 42244376) is N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is Cc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)c2c(C)cc(C)[nH]c2=O)cc1.
What is the InChIKey of N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is YEJGJNFOLGZXBF-LJQANCHMSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-14-6-8-17(9-7-14)28-20-12-24(4,5)11-19(18(20)13-25-28)27-23(30)21-15(2)10-16(3)26-22(21)29/h6-10,13,19H,11-12H2,1-5H3,(H,26,29)(H,27,30)/t19-/m1/s1.
What are the key properties of N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 42244376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).