3-fluoro-4-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzamide

C15H16FN3O2 — CID 119101493

IUPAC3-fluoro-4-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzamide
SMILESCOc1ccc(C(=O)NC2CCn3nccc3C2)cc1F
InChIInChI=1S/C15H16FN3O2/c1-21-14-3-2-10(8-13(14)16)15(20)18-11-5-7-19-12(9-11)4-6-17-19/h2-4,6,8,11H,5,7,9H2,1H3,(H,18,20)
InChIKeyLXSUVMJUQIAOOI-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.78
Rot. Bonds3

About 3-fluoro-4-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzamide

3-fluoro-4-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzamide (PubChem CID 119101493) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzamide
PubChem CID119101493
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name3-fluoro-4-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzamide
SMILESCOc1ccc(C(=O)NC2CCn3nccc3C2)cc1F
InChIInChI=1S/C15H16FN3O2/c1-21-14-3-2-10(8-13(14)16)15(20)18-11-5-7-19-12(9-11)4-6-17-19/h2-4,6,8,11H,5,7,9H2,1H3,(H,18,20)
InChIKeyLXSUVMJUQIAOOI-UHFFFAOYSA-N
XLogP1.78
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]carbamoyl]benzoate
CID 124725421
N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]-2,1,3-benzothiadiazole-5-carboxamide
CID 124891885
3-fluoro-4-methoxy-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]benzamide
CID 91911758
3-fluoro-4-methoxy-N-(oxolan-3-yl)benzamide
CID 86780875
N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-fluoro-4-methoxybenzamide
CID 91911783
2-methylsulfanyl-N-[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]benzamide
CID 124760369
N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-3-fluoro-4-methoxybenzamide
CID 83275374
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4-(5-methylpyrazol-1-yl)benzamide
CID 55957745
3-fluoro-N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-4-methoxybenzamide
CID 99741627
N-[(1S,5R)-8-(3-fluoro-4-methoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide
CID 91912326
2-bromo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzamide
CID 119101471
4-ethoxy-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 55959016

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzamide (CID 119101493) is 3-fluoro-4-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzamide is COc1ccc(C(=O)NC2CCn3nccc3C2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzamide?
The InChIKey is LXSUVMJUQIAOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-21-14-3-2-10(8-13(14)16)15(20)18-11-5-7-19-12(9-11)4-6-17-19/h2-4,6,8,11H,5,7,9H2,1H3,(H,18,20).
What are the key properties of 3-fluoro-4-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzamide?
3-fluoro-4-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzamide has a molecular weight of 289.31 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzamide is sourced from PubChem (CID 119101493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).