4-tert-butyl-N-[2-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]benzamide

C23H32N4O2 — CID 108755611

IUPAC4-tert-butyl-N-[2-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)N2CCc3c(cnn3C(C)(C)C)C2)cc1
InChIInChI=1S/C23H32N4O2/c1-22(2,3)18-9-7-16(8-10-18)21(29)24-14-20(28)26-12-11-19-17(15-26)13-25-27(19)23(4,5)6/h7-10,13H,11-12,14-15H2,1-6H3,(H,24,29)
InChIKeyXLFKWYKBITVUAZ-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.25
Rot. Bonds3

About 4-tert-butyl-N-[2-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]benzamide

4-tert-butyl-N-[2-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]benzamide (PubChem CID 108755611) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]benzamide
PubChem CID108755611
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name4-tert-butyl-N-[2-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)N2CCc3c(cnn3C(C)(C)C)C2)cc1
InChIInChI=1S/C23H32N4O2/c1-22(2,3)18-9-7-16(8-10-18)21(29)24-14-20(28)26-12-11-19-17(15-26)13-25-27(19)23(4,5)6/h7-10,13H,11-12,14-15H2,1-6H3,(H,24,29)
InChIKeyXLFKWYKBITVUAZ-UHFFFAOYSA-N
XLogP3.25
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 108732236
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-tert-butylbenzamide
CID 34839400
2-bromo-1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)butan-1-one
CID 108732170
1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2,2,2-trichloroethanone
CID 108732144
1-tert-butyl-N-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide
CID 108781376
(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 108732113
4-tert-butyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 27258300
5-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-propan-2-ylisoindole-1,3-dione
CID 108755616
4-tert-butyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]benzamide
CID 36802749
4-tert-butyl-N-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]benzamide
CID 38168396
N-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-oxoethyl]benzamide
CID 90620998
(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(2,4-dichlorophenyl)methanone
CID 108732172

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]benzamide (CID 108755611) is 4-tert-butyl-N-[2-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]benzamide is CC(C)(C)c1ccc(C(=O)NCC(=O)N2CCc3c(cnn3C(C)(C)C)C2)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]benzamide?
The InChIKey is XLFKWYKBITVUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-22(2,3)18-9-7-16(8-10-18)21(29)24-14-20(28)26-12-11-19-17(15-26)13-25-27(19)23(4,5)6/h7-10,13H,11-12,14-15H2,1-6H3,(H,24,29).
What are the key properties of 4-tert-butyl-N-[2-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]benzamide?
4-tert-butyl-N-[2-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]benzamide has a molecular weight of 396.54 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]benzamide is sourced from PubChem (CID 108755611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).