N-[8-(2-fluorobutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carboxamide

C20H25FN4O3 — CID 167802181

IUPACN-[8-(2-fluorobutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCC(F)C(=O)N1C2CCC1CC(NC(=O)c1cnn3cccc(OC)c13)C2
InChIInChI=1S/C20H25FN4O3/c1-3-16(21)20(27)25-13-6-7-14(25)10-12(9-13)23-19(26)15-11-22-24-8-4-5-17(28-2)18(15)24/h4-5,8,11-14,16H,3,6-7,9-10H2,1-2H3,(H,23,26)
InChIKeyFTWLYQCRQHLJLX-UHFFFAOYSA-N
MW388.44 g/mol
LogP2.34
Rot. Bonds5

About N-[8-(2-fluorobutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carboxamide

N-[8-(2-fluorobutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 167802181) has the molecular formula C20H25FN4O3 and a molecular weight of 388.44 g/mol. Its IUPAC name is N-[8-(2-fluorobutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[8-(2-fluorobutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID167802181
Molecular FormulaC20H25FN4O3
Molecular Weight388.44 g/mol
Exact Mass388.19
IUPAC NameN-[8-(2-fluorobutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCC(F)C(=O)N1C2CCC1CC(NC(=O)c1cnn3cccc(OC)c13)C2
InChIInChI=1S/C20H25FN4O3/c1-3-16(21)20(27)25-13-6-7-14(25)10-12(9-13)23-19(26)15-11-22-24-8-4-5-17(28-2)18(15)24/h4-5,8,11-14,16H,3,6-7,9-10H2,1-2H3,(H,23,26)
InChIKeyFTWLYQCRQHLJLX-UHFFFAOYSA-N
XLogP2.34
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-2-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide
CID 18988176
2,3-dimethoxy-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 13053662
ethyl 4-[(4-methylpyrazolo[1,5-a]pyridine-3-carbonyl)amino]piperidine-1-carboxylate
CID 138386106
N-[(1S,5R)-8-(2,3-dimethoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide
CID 91924414
4-methoxy-N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-ylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 164635891
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-methoxybenzamide;hydrochloride
CID 3059281
2-methoxy-N-(4-pyrazol-1-ylcyclohexyl)benzamide
CID 126855667
4-methoxy-N-(4-methoxybutyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 136565417
N-[8-(2,4-dimethoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide
CID 156610369
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxybenzamide
CID 110820045
2-methoxy-N-[[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]carbamoyl]benzamide
CID 15751470
N-[(1S,5R)-8-(2-ethylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
CID 91924373

Frequently Asked Questions

What is the IUPAC name of N-[8-(2-fluorobutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[8-(2-fluorobutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carboxamide (CID 167802181) is N-[8-(2-fluorobutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[8-(2-fluorobutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[8-(2-fluorobutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carboxamide is CCC(F)C(=O)N1C2CCC1CC(NC(=O)c1cnn3cccc(OC)c13)C2.
What is the InChIKey of N-[8-(2-fluorobutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is FTWLYQCRQHLJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O3/c1-3-16(21)20(27)25-13-6-7-14(25)10-12(9-13)23-19(26)15-11-22-24-8-4-5-17(28-2)18(15)24/h4-5,8,11-14,16H,3,6-7,9-10H2,1-2H3,(H,23,26).
What are the key properties of N-[8-(2-fluorobutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carboxamide?
N-[8-(2-fluorobutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 388.44 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(2-fluorobutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 167802181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).