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

C17H21FN4O2 — CID 136563031

IUPACN-[2-(4-fluorophenyl)ethyl]-2-(1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)acetamide
SMILESCn1[nH]c(=O)c2c1CN(CC(=O)NCCc1ccc(F)cc1)CC2
InChIInChI=1S/C17H21FN4O2/c1-21-15-10-22(9-7-14(15)17(24)20-21)11-16(23)19-8-6-12-2-4-13(18)5-3-12/h2-5H,6-11H2,1H3,(H,19,23)(H,20,24)
InChIKeyUTDIROMCQRGQPT-UHFFFAOYSA-N
MW332.38 g/mol
LogP0.57
Rot. Bonds5

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

N-[2-(4-fluorophenyl)ethyl]-2-(1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)acetamide (PubChem CID 136563031) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-(1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-(1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)acetamide
PubChem CID136563031
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-(1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)acetamide
SMILESCn1[nH]c(=O)c2c1CN(CC(=O)NCCc1ccc(F)cc1)CC2
InChIInChI=1S/C17H21FN4O2/c1-21-15-10-22(9-7-14(15)17(24)20-21)11-16(23)19-8-6-12-2-4-13(18)5-3-12/h2-5H,6-11H2,1H3,(H,19,23)(H,20,24)
InChIKeyUTDIROMCQRGQPT-UHFFFAOYSA-N
XLogP0.57
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-(1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)acetamide
CID 136563013
2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 644372
N-[2-(4-fluorophenyl)ethyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 8014680
N-[2-(4-fluorophenyl)ethyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 7756687
1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8531156
N,N-diethyl-4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxamide
CID 37192477
2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 136527123
N-[2-(4-fluorophenyl)ethyl]-2-[4-(methanesulfonamido)piperidin-1-yl]acetamide
CID 91843173
N-[2-(4-fluorophenyl)ethyl]-2-(10-oxo-7-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)acetamide
CID 154817071
N-[2-[4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]ethyl]furan-2-carboxamide
CID 34608906
1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 55837389
N-[2-(4-fluorophenyl)ethyl]-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 36852770

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)acetamide (CID 136563031) is N-[2-(4-fluorophenyl)ethyl]-2-(1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-(1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-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)NCCc1ccc(F)cc1)CC2.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-(1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)acetamide?
The InChIKey is UTDIROMCQRGQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-21-15-10-22(9-7-14(15)17(24)20-21)11-16(23)19-8-6-12-2-4-13(18)5-3-12/h2-5H,6-11H2,1H3,(H,19,23)(H,20,24).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-(1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)acetamide?
N-[2-(4-fluorophenyl)ethyl]-2-(1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)acetamide has a molecular weight of 332.38 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-(1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)acetamide is sourced from PubChem (CID 136563031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).