3-methoxy-N-(3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydro-4H-indazol-4-yl)benzamide

C23H26N4O2 — CID 155979875

IUPAC3-methoxy-N-(3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydro-4H-indazol-4-yl)benzamide
SMILESCOc1cccc(C(=O)NC2CC(C)(C)Cc3c2c(C)nn3-c2ccccn2)c1
InChIInChI=1S/C23H26N4O2/c1-15-21-18(25-22(28)16-8-7-9-17(12-16)29-4)13-23(2,3)14-19(21)27(26-15)20-10-5-6-11-24-20/h5-12,18H,13-14H2,1-4H3,(H,25,28)
InChIKeyLOEUVZWQDITINO-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.03
Rot. Bonds4

About 3-methoxy-N-(3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydro-4H-indazol-4-yl)benzamide

3-methoxy-N-(3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydro-4H-indazol-4-yl)benzamide (PubChem CID 155979875) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 3-methoxy-N-(3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydro-4H-indazol-4-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydro-4H-indazol-4-yl)benzamide
PubChem CID155979875
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name3-methoxy-N-(3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydro-4H-indazol-4-yl)benzamide
SMILESCOc1cccc(C(=O)NC2CC(C)(C)Cc3c2c(C)nn3-c2ccccn2)c1
InChIInChI=1S/C23H26N4O2/c1-15-21-18(25-22(28)16-8-7-9-17(12-16)29-4)13-23(2,3)14-19(21)27(26-15)20-10-5-6-11-24-20/h5-12,18H,13-14H2,1-4H3,(H,25,28)
InChIKeyLOEUVZWQDITINO-UHFFFAOYSA-N
XLogP4.03
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methoxy-N-(3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydro-4H-indazol-4-yl)benzamide with MolForge

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Related Compounds

3-methoxy-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]benzamide
CID 95384794
4-fluoro-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)benzamide
CID 4729379
3,5-dinitro-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)benzamide
CID 4729384
3-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697550
N-[(4S,5S)-4-(4-fluorophenyl)-3-methyl-6-oxo-1-pyridin-2-yl-5,7-dihydro-4H-indazol-5-yl]-3-methylbenzamide
CID 167545037
N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-3,4,5-trimethoxybenzamide
CID 42591856
ethyl 5-[3-[(3-methoxybenzoyl)amino]phenyl]-1-pyridin-2-ylpyrazole-3-carboxylate
CID 46094004
3-methoxy-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651012
3-methoxy-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide
CID 47029925
3-methoxy-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651013
3-methoxy-N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]benzamide
CID 75494317
1-(3-methoxyphenyl)-3-pyrimidin-2-ylpropane-1,3-dione
CID 114552675

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydro-4H-indazol-4-yl)benzamide?
The IUPAC name of 3-methoxy-N-(3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydro-4H-indazol-4-yl)benzamide (CID 155979875) is 3-methoxy-N-(3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydro-4H-indazol-4-yl)benzamide.
What is the SMILES notation for 3-methoxy-N-(3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydro-4H-indazol-4-yl)benzamide?
The canonical SMILES for 3-methoxy-N-(3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydro-4H-indazol-4-yl)benzamide is COc1cccc(C(=O)NC2CC(C)(C)Cc3c2c(C)nn3-c2ccccn2)c1.
What is the InChIKey of 3-methoxy-N-(3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydro-4H-indazol-4-yl)benzamide?
The InChIKey is LOEUVZWQDITINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-15-21-18(25-22(28)16-8-7-9-17(12-16)29-4)13-23(2,3)14-19(21)27(26-15)20-10-5-6-11-24-20/h5-12,18H,13-14H2,1-4H3,(H,25,28).
What are the key properties of 3-methoxy-N-(3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydro-4H-indazol-4-yl)benzamide?
3-methoxy-N-(3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydro-4H-indazol-4-yl)benzamide has a molecular weight of 390.49 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydro-4H-indazol-4-yl)benzamide is sourced from PubChem (CID 155979875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).