6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide

C23H32N4O3 — CID 139213045

IUPAC6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide
SMILESCOCCN(C)C(=O)c1ccc(-n2nc(CC(C)C)c3c2CC(C)(C)CC3=O)nc1
InChIInChI=1S/C23H32N4O3/c1-15(2)11-17-21-18(12-23(3,4)13-19(21)28)27(25-17)20-8-7-16(14-24-20)22(29)26(5)9-10-30-6/h7-8,14-15H,9-13H2,1-6H3
InChIKeyZFPPQZXMKPIENY-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.34
Rot. Bonds7

About 6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide

6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide (PubChem CID 139213045) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is 6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide
PubChem CID139213045
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC Name6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide
SMILESCOCCN(C)C(=O)c1ccc(-n2nc(CC(C)C)c3c2CC(C)(C)CC3=O)nc1
InChIInChI=1S/C23H32N4O3/c1-15(2)11-17-21-18(12-23(3,4)13-19(21)28)27(25-17)20-8-7-16(14-24-20)22(29)26(5)9-10-30-6/h7-8,14-15H,9-13H2,1-6H3
InChIKeyZFPPQZXMKPIENY-UHFFFAOYSA-N
XLogP3.34
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide (CID 139213045) is 6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide is COCCN(C)C(=O)c1ccc(-n2nc(CC(C)C)c3c2CC(C)(C)CC3=O)nc1.
What is the InChIKey of 6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide?
The InChIKey is ZFPPQZXMKPIENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-15(2)11-17-21-18(12-23(3,4)13-19(21)28)27(25-17)20-8-7-16(14-24-20)22(29)26(5)9-10-30-6/h7-8,14-15H,9-13H2,1-6H3.
What are the key properties of 6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide?
6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide has a molecular weight of 412.53 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 139213045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).