6-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]indazole-4-carboxamide

C35H44N6O3 — CID 77465683

IUPAC6-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]indazole-4-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc(-c2ccc(CN(C)C)cc2)cc2c1cnn2C1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C35H44N6O3/c1-22-16-23(2)38-33(43)29(22)19-36-32(42)28-17-26(25-10-8-24(9-11-25)21-39(6)7)18-31-30(28)20-37-41(31)27-12-14-40(15-13-27)34(44)35(3,4)5/h8-11,16-18,20,27,29H,12-15,19,21H2,1-7H3,(H,36,42)
InChIKeyQHKLIIXCZBMBAC-UHFFFAOYSA-N
MW596.78 g/mol
LogP5.27
Rot. Bonds7

About 6-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]indazole-4-carboxamide

6-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]indazole-4-carboxamide (PubChem CID 77465683) has the molecular formula C35H44N6O3 and a molecular weight of 596.78 g/mol. Its IUPAC name is 6-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]indazole-4-carboxamide.

Molecular Properties

Compound Name6-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]indazole-4-carboxamide
PubChem CID77465683
Molecular FormulaC35H44N6O3
Molecular Weight596.78 g/mol
Exact Mass596.35
IUPAC Name6-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]indazole-4-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc(-c2ccc(CN(C)C)cc2)cc2c1cnn2C1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C35H44N6O3/c1-22-16-23(2)38-33(43)29(22)19-36-32(42)28-17-26(25-10-8-24(9-11-25)21-39(6)7)18-31-30(28)20-37-41(31)27-12-14-40(15-13-27)34(44)35(3,4)5/h8-11,16-18,20,27,29H,12-15,19,21H2,1-7H3,(H,36,42)
InChIKeyQHKLIIXCZBMBAC-UHFFFAOYSA-N
XLogP5.27
TPSA99.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.78
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]indazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]indazole-4-carboxamide?
The IUPAC name of 6-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]indazole-4-carboxamide (CID 77465683) is 6-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]indazole-4-carboxamide.
What is the SMILES notation for 6-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]indazole-4-carboxamide?
The canonical SMILES for 6-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]indazole-4-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1cc(-c2ccc(CN(C)C)cc2)cc2c1cnn2C1CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of 6-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]indazole-4-carboxamide?
The InChIKey is QHKLIIXCZBMBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H44N6O3/c1-22-16-23(2)38-33(43)29(22)19-36-32(42)28-17-26(25-10-8-24(9-11-25)21-39(6)7)18-31-30(28)20-37-41(31)27-12-14-40(15-13-27)34(44)35(3,4)5/h8-11,16-18,20,27,29H,12-15,19,21H2,1-7H3,(H,36,42).
What are the key properties of 6-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]indazole-4-carboxamide?
6-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]indazole-4-carboxamide has a molecular weight of 596.78 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]indazole-4-carboxamide is sourced from PubChem (CID 77465683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).