N-(3-fluorophenyl)-2-(1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)propanamide

C16H19FN4O2 — CID 136563024

IUPACN-(3-fluorophenyl)-2-(1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)propanamide
SMILESCC(C(=O)Nc1cccc(F)c1)N1CCc2c(n(C)[nH]c2=O)C1
InChIInChI=1S/C16H19FN4O2/c1-10(15(22)18-12-5-3-4-11(17)8-12)21-7-6-13-14(9-21)20(2)19-16(13)23/h3-5,8,10H,6-7,9H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyBOANNVOKWHKEKP-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.24
Rot. Bonds3

About N-(3-fluorophenyl)-2-(1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)propanamide

N-(3-fluorophenyl)-2-(1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)propanamide (PubChem CID 136563024) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)propanamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)propanamide
PubChem CID136563024
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC NameN-(3-fluorophenyl)-2-(1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)propanamide
SMILESCC(C(=O)Nc1cccc(F)c1)N1CCc2c(n(C)[nH]c2=O)C1
InChIInChI=1S/C16H19FN4O2/c1-10(15(22)18-12-5-3-4-11(17)8-12)21-7-6-13-14(9-21)20(2)19-16(13)23/h3-5,8,10H,6-7,9H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyBOANNVOKWHKEKP-UHFFFAOYSA-N
XLogP1.24
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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(2S)-2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide
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(2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-(3-fluorophenyl)propanamide
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2-[4-[1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
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CID 129401572
(2S)-N-(3-fluorophenyl)-2-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazin-1-yl]propanamide
CID 97067672
(2R)-N-(3-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 9493165
(2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)propanamide?
The IUPAC name of N-(3-fluorophenyl)-2-(1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)propanamide (CID 136563024) is N-(3-fluorophenyl)-2-(1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)propanamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)propanamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)propanamide is CC(C(=O)Nc1cccc(F)c1)N1CCc2c(n(C)[nH]c2=O)C1.
What is the InChIKey of N-(3-fluorophenyl)-2-(1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)propanamide?
The InChIKey is BOANNVOKWHKEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-10(15(22)18-12-5-3-4-11(17)8-12)21-7-6-13-14(9-21)20(2)19-16(13)23/h3-5,8,10H,6-7,9H2,1-2H3,(H,18,22)(H,19,23).
What are the key properties of N-(3-fluorophenyl)-2-(1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)propanamide?
N-(3-fluorophenyl)-2-(1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)propanamide has a molecular weight of 318.35 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)propanamide is sourced from PubChem (CID 136563024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).