N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

C20H24FN5O — CID 120881996

IUPACN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccn2)CC1)Nc1ccc2c(c1F)CCNC2
InChIInChI=1S/C20H24FN5O/c21-20-16-6-8-22-13-15(16)4-5-17(20)24-19(27)14-25-9-11-26(12-10-25)18-3-1-2-7-23-18/h1-5,7,22H,6,8-14H2,(H,24,27)
InChIKeyDDQVGMNEBUXNSQ-UHFFFAOYSA-N
MW369.44 g/mol
LogP1.63
Rot. Bonds4

About N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (PubChem CID 120881996) has the molecular formula C20H24FN5O and a molecular weight of 369.44 g/mol. Its IUPAC name is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
PubChem CID120881996
Molecular FormulaC20H24FN5O
Molecular Weight369.44 g/mol
Exact Mass369.20
IUPAC NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccn2)CC1)Nc1ccc2c(c1F)CCNC2
InChIInChI=1S/C20H24FN5O/c21-20-16-6-8-22-13-15(16)4-5-17(20)24-19(27)14-25-9-11-26(12-10-25)18-3-1-2-7-23-18/h1-5,7,22H,6,8-14H2,(H,24,27)
InChIKeyDDQVGMNEBUXNSQ-UHFFFAOYSA-N
XLogP1.63
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide with MolForge

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Launch Full Analysis

Related Compounds

2-(4-ethylpiperazin-1-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide
CID 120883660
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-pyrazol-1-ylacetamide
CID 120882854
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(2-oxo-1-pyridinyl)acetamide;hydrochloride
CID 120881923
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide
CID 120882532
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-piperidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 120881137
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 120882278
N-(2-morpholin-4-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 109004729
N-(3-fluoro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4566699
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 3236086
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 109004730
methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate
CID 6469766
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methylsulfonylacetamide;hydrochloride
CID 120884179

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (CID 120881996) is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is O=C(CN1CCN(c2ccccn2)CC1)Nc1ccc2c(c1F)CCNC2.
What is the InChIKey of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is DDQVGMNEBUXNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O/c21-20-16-6-8-22-13-15(16)4-5-17(20)24-19(27)14-25-9-11-26(12-10-25)18-3-1-2-7-23-18/h1-5,7,22H,6,8-14H2,(H,24,27).
What are the key properties of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 369.44 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 120881996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).