2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide

C20H21FN4OS — CID 86960309

IUPAC2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
SMILESCC1c2cc(F)ccc2CCN1CC(=O)Nc1ccnn1Cc1cccs1
InChIInChI=1S/C20H21FN4OS/c1-14-18-11-16(21)5-4-15(18)7-9-24(14)13-20(26)23-19-6-8-22-25(19)12-17-3-2-10-27-17/h2-6,8,10-11,14H,7,9,12-13H2,1H3,(H,23,26)
InChIKeyQCCQYYWGNOJQQK-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.69
Rot. Bonds5

About 2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide

2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide (PubChem CID 86960309) has the molecular formula C20H21FN4OS and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
PubChem CID86960309
Molecular FormulaC20H21FN4OS
Molecular Weight384.48 g/mol
Exact Mass384.14
IUPAC Name2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
SMILESCC1c2cc(F)ccc2CCN1CC(=O)Nc1ccnn1Cc1cccs1
InChIInChI=1S/C20H21FN4OS/c1-14-18-11-16(21)5-4-15(18)7-9-24(14)13-20(26)23-19-6-8-22-25(19)12-17-3-2-10-27-17/h2-6,8,10-11,14H,7,9,12-13H2,1H3,(H,23,26)
InChIKeyQCCQYYWGNOJQQK-UHFFFAOYSA-N
XLogP3.69
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 9118752
2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 87015681
4-fluoro-N-[1-[2-oxo-2-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]ethyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
CID 60548575
(3S)-1-[2-oxo-2-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]ethyl]pyrrolidine-3-carboxamide
CID 94163023
2-amino-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 121209392
2-[ethyl-[(3-fluorophenyl)methyl]amino]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 36801943
2-[1-(4-fluorophenyl)ethyl-methylamino]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 51287494
2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-pentylacetamide
CID 86960313
tert-butyl N-[1-[2-oxo-2-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]ethyl]piperidin-4-yl]carbamate
CID 60512697
N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]cyclobutanecarboxamide
CID 8911676
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 51286651
5-[(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 86959237

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide (CID 86960309) is 2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide is CC1c2cc(F)ccc2CCN1CC(=O)Nc1ccnn1Cc1cccs1.
What is the InChIKey of 2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide?
The InChIKey is QCCQYYWGNOJQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4OS/c1-14-18-11-16(21)5-4-15(18)7-9-24(14)13-20(26)23-19-6-8-22-25(19)12-17-3-2-10-27-17/h2-6,8,10-11,14H,7,9,12-13H2,1H3,(H,23,26).
What are the key properties of 2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide?
2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide has a molecular weight of 384.48 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 86960309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).