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

C16H19FN4O2 — CID 136563013

IUPACN-[(4-fluorophenyl)methyl]-2-(1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)acetamide
SMILESCn1[nH]c(=O)c2c1CN(CC(=O)NCc1ccc(F)cc1)CC2
InChIInChI=1S/C16H19FN4O2/c1-20-14-9-21(7-6-13(14)16(23)19-20)10-15(22)18-8-11-2-4-12(17)5-3-11/h2-5H,6-10H2,1H3,(H,18,22)(H,19,23)
InChIKeyWIUWSLLLUIGNPU-UHFFFAOYSA-N
MW318.35 g/mol
LogP0.53
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-2-(1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)acetamide (PubChem CID 136563013) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)acetamide
PubChem CID136563013
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)acetamide
SMILESCn1[nH]c(=O)c2c1CN(CC(=O)NCc1ccc(F)cc1)CC2
InChIInChI=1S/C16H19FN4O2/c1-20-14-9-21(7-6-13(14)16(23)19-20)10-15(22)18-8-11-2-4-12(17)5-3-11/h2-5H,6-10H2,1H3,(H,18,22)(H,19,23)
InChIKeyWIUWSLLLUIGNPU-UHFFFAOYSA-N
XLogP0.53
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-(1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)acetamide
CID 136563031
N-[(4-fluorophenyl)methyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 2546535
N-[(4-fluorophenyl)methyl]-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923412
N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 51172066
N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[[[2-(4-methylpiperazin-1-yl)acetyl]amino]methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 135602038
N-[(4-fluorophenyl)methyl]-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119924446
1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
CID 110082547
ethyl (3R)-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylate
CID 8533086
N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997698
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 108997193
2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 60514264
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 46162316

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)acetamide (CID 136563013) is N-[(4-fluorophenyl)methyl]-2-(1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)acetamide is Cn1[nH]c(=O)c2c1CN(CC(=O)NCc1ccc(F)cc1)CC2.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)acetamide?
The InChIKey is WIUWSLLLUIGNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-20-14-9-21(7-6-13(14)16(23)19-20)10-15(22)18-8-11-2-4-12(17)5-3-11/h2-5H,6-10H2,1H3,(H,18,22)(H,19,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)acetamide?
N-[(4-fluorophenyl)methyl]-2-(1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)acetamide has a molecular weight of 318.35 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)acetamide is sourced from PubChem (CID 136563013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).